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

C18H15Cl3N2O2 — CID 124730320

IUPAC(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C18H15Cl3N2O2/c19-13-6-4-11(5-7-13)9-22-18(25)12-8-16(24)23(10-12)15-3-1-2-14(20)17(15)21/h1-7,12H,8-10H2,(H,22,25)/t12-/m0/s1
InChIKeyAGARBPAUADOZIT-LBPRGKRZSA-N
MW397.69 g/mol
LogP4.32
Rot. Bonds4

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

(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124730320) has the molecular formula C18H15Cl3N2O2 and a molecular weight of 397.69 g/mol. Its IUPAC name is (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124730320
Molecular FormulaC18H15Cl3N2O2
Molecular Weight397.69 g/mol
Exact Mass396.02
IUPAC Name(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C18H15Cl3N2O2/c19-13-6-4-11(5-7-13)9-22-18(25)12-8-16(24)23(10-12)15-3-1-2-14(20)17(15)21/h1-7,12H,8-10H2,(H,22,25)/t12-/m0/s1
InChIKeyAGARBPAUADOZIT-LBPRGKRZSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.69
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-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-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187486
1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
N-[(4-chlorophenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186544
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3R)-1-(2,3-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 124750267
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191348
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
1-(4-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187685
(3R)-N-cyclopropyl-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40978163
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191409

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 124730320) is (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGARBPAUADOZIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15Cl3N2O2/c19-13-6-4-11(5-7-13)9-22-18(25)12-8-16(24)23(10-12)15-3-1-2-14(20)17(15)21/h1-7,12H,8-10H2,(H,22,25)/t12-/m0/s1.
What are the key properties of (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.69 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124730320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).