(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O3 — CID 29130415

IUPAC(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H20ClN3O3/c1-13(25)22-17-3-2-4-18(10-17)23-20(27)15-9-19(26)24(12-15)11-14-5-7-16(21)8-6-14/h2-8,10,15H,9,11-12H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyIYJQKVADNZZZCA-OAHLLOKOSA-N
MW385.85 g/mol
LogP3.29
Rot. Bonds5

About (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 29130415) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID29130415
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H20ClN3O3/c1-13(25)22-17-3-2-4-18(10-17)23-20(27)15-9-19(26)24(12-15)11-14-5-7-16(21)8-6-14/h2-8,10,15H,9,11-12H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyIYJQKVADNZZZCA-OAHLLOKOSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-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]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650919
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
N-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 44777957
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132860
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39346774
3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 50928066
N-(3,4-dichlorophenyl)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183358
1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
1-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183756
(3S)-1-[(4-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39351626
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 29130415) is (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IYJQKVADNZZZCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(25)22-17-3-2-4-18(10-17)23-20(27)15-9-19(26)24(12-15)11-14-5-7-16(21)8-6-14/h2-8,10,15H,9,11-12H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29130415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).