N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C14H19Cl2N3O2 — CID 119700277

IUPACN-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)CCNC2)cc1Cl.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-9(19)17-12-4-3-10(7-11(12)15)18-13(20)14(2)5-6-16-8-14;/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyRNBKXZTZJIILSQ-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.66
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119700277) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119700277
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)CCNC2)cc1Cl.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-9(19)17-12-4-3-10(7-11(12)15)18-13(20)14(2)5-6-16-8-14;/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyRNBKXZTZJIILSQ-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide
CID 63140289
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119700277) is N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)C2(C)CCNC2)cc1Cl.Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RNBKXZTZJIILSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2.ClH/c1-9(19)17-12-4-3-10(7-11(12)15)18-13(20)14(2)5-6-16-8-14;/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 332.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119700277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).