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4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide structure
Fine Chemical

4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide

TL;DR: 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide (CAS 161808-00-0) is a chemical compound with molecular formula C21H21ClN2O and molecular weight 352.13425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide

Also Known As: BAS 01059645, IDI1_021144, AH-262/31955030, BRD-A04975268-003-01-7, 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide

CAS Number
161808-00-0
Molecular Formula
C21H21ClN2O
Molecular Weight
352.13425 g/mol
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Technical Specifications

Molecular FormulaC21H21ClN2O
Molecular Weight352.13425 g/mol
XLogP4.5
Topological Polar Surface Area (TPSA)23.6 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds3
Exact Mass352.13425 Da
Heavy Atoms25
Complexity520.0
SMILESCN1C2CCC1C=C(C2)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl
InChIKeyPAAJTXSXVPEGFW-UHFFFAOYSA-N

Chemical Property Profile of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide

XLogP
4.5
TPSA (Topological Polar Surface Area)
23.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
3
Heavy Atoms
25
Complexity
520.0
Exact Mass
352.13425
Monoisotopic Mass
352.13425
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 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide

The XLogP value of 4.5 indicates that 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide?

The CAS number of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide is 161808-00-0.

What is the molecular formula of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide?

The molecular formula of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide is C21H21ClN2O.

What is the molecular weight of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide?

The molecular weight of 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide is 352.13425 g/mol.

Where can I buy 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide?

You can request a quote for 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide?

Yes, CoreyChem provides custom synthesis services for 4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-phenylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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