(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H19ClN2O3 — CID 8712834

IUPAC(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13(24)14-6-8-17(9-7-14)22-20(26)16-10-19(25)23(12-16)11-15-4-2-3-5-18(15)21/h2-9,16H,10-12H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyOWOJLMPYMPYSNQ-INIZCTEOSA-N
MW370.84 g/mol
LogP3.53
Rot. Bonds5

About (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 8712834) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID8712834
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13(24)14-6-8-17(9-7-14)22-20(26)16-10-19(25)23(12-16)11-15-4-2-3-5-18(15)21/h2-9,16H,10-12H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyOWOJLMPYMPYSNQ-INIZCTEOSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42651418
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52899170
N-(4-acetylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184463
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
N-(4-acetylphenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186924
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 8712834) is (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OWOJLMPYMPYSNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13(24)14-6-8-17(9-7-14)22-20(26)16-10-19(25)23(12-16)11-15-4-2-3-5-18(15)21/h2-9,16H,10-12H2,1H3,(H,22,26)/t16-/m0/s1.
What are the key properties of (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8712834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).