(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H14ClN3O4 — CID 7366806

IUPAC(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H14ClN3O4/c18-12-6-7-14(15(9-12)21(24)25)19-17(23)11-8-16(22)20(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,19,23)/t11-/m0/s1
InChIKeyQZJRJZXVJXSYAR-NSHDSACASA-N
MW359.77 g/mol
LogP3.24
Rot. Bonds4

About (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 7366806) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID7366806
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H14ClN3O4/c18-12-6-7-14(15(9-12)21(24)25)19-17(23)11-8-16(22)20(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,19,23)/t11-/m0/s1
InChIKeyQZJRJZXVJXSYAR-NSHDSACASA-N
XLogP3.24
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-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-tert-butyl-N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885866
(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51935639
(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7379264
N-(2-methyl-4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080530
(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004873
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-1-(4-chlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7160854
(3R)-N-(4-bromo-2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1006550
(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55762901

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 7366806) is (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is QZJRJZXVJXSYAR-NSHDSACASA-N. The full InChI is InChI=1S/C17H14ClN3O4/c18-12-6-7-14(15(9-12)21(24)25)19-17(23)11-8-16(22)20(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,19,23)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 7366806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).