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N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide structure
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N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide

TL;DR: N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide (CAS 1008924-98-8) is a chemical compound with molecular formula C20H21ClN4O3 and molecular weight 400.13022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-(4-chlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

Also Known As: N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide, 2-{1-[N-(4-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl}-N-(3-methylphenyl)acet amide, N-(4-chlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide, N-(4-chlorophenyl)-3-oxo-2-(2-oxo-2-(m-tolylamino)ethyl)piperazine-1-carboxamide, N-(4-CHLOROPHENYL)-2-{[(3-METHYLPHENYL)CARBAMOYL]METHYL}-3-OXOPIPERAZINE-1-CARBOXAMIDE

CAS Number
1008924-98-8
Molecular Formula
C20H21ClN4O3
Molecular Weight
400.13022 g/mol
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Technical Specifications

Molecular FormulaC20H21ClN4O3
Molecular Weight400.13022 g/mol
XLogP2.1
Topological Polar Surface Area (TPSA)90.5 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors3
Rotatable Bonds4
Exact Mass400.13022 Da
Heavy Atoms28
Complexity580.0
SMILESCC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=C(C=C3)Cl
InChIKeyCKMJMSHJBPVUHL-UHFFFAOYSA-N

Chemical Property Profile of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide

XLogP
2.1
TPSA (Topological Polar Surface Area)
90.5
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
Rotatable Bonds
4
Heavy Atoms
28
Complexity
580.0
Exact Mass
400.13022
Monoisotopic Mass
400.13022
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide

The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide?

The CAS number of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide is 1008924-98-8.

What is the molecular formula of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide?

The molecular formula of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide is C20H21ClN4O3.

What is the molecular weight of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide?

The molecular weight of N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide is 400.13022 g/mol.

Where can I buy N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide?

You can request a quote for N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide?

Yes, CoreyChem provides custom synthesis services for N-(4-chlorophenyl)-2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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