(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

C18H19ClN2O — CID 90115301

IUPAC(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-8-10-16(11-9-15)21-12-4-7-17(21)18(22)20-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)/t17-/m0/s1
InChIKeyMEVIEUHJKIRRAZ-KRWDZBQOSA-N
MW314.82 g/mol
LogP3.63
Rot. Bonds4

About (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 90115301) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID90115301
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-8-10-16(11-9-15)21-12-4-7-17(21)18(22)20-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)/t17-/m0/s1
InChIKeyMEVIEUHJKIRRAZ-KRWDZBQOSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
CID 72719298
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 46844065
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
(2S)-N-(4-tert-butylcyclohexyl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 46844122
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 75218553

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (CID 90115301) is (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is MEVIEUHJKIRRAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-8-10-16(11-9-15)21-12-4-7-17(21)18(22)20-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 314.82 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 90115301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).