Compound C16H26BrClN2O4

3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride

CAS: 117591-79-4

Molecular Formula	`C16H26BrClN2O4`
Molecular Weight	425.7 g/mol
Topological Polar Surface Area	51.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	424.07645
Heavy Atoms	24
Complexity	369.0

Chemical Identifiers

CAS Number	117591-79-4
SMILES	`CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.O.Cl`
InChIKey	`SPFVHFBNXPARTR-IDMXKUIJSA-N`

📖 Product Overview

Compound C16H26BrClN2O4 (CAS: 117591-79-4) is a chemical compound with molecular formula C16H26BrClN2O4 and molecular weight 425.7 g/mol. Its IUPAC systematic name is 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride. Topological Polar Surface Area 51.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 424.07645 Heavy Atoms 24 Complexity 369.0 InChI Key: SPFVHFBNXPARTR-IDMXKUIJSA-N. SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.O.Cl.

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