(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C18H17N3O4 — CID 9056074

IUPAC(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C18H17N3O4/c22-17-10-14(18(23)19-11-13-4-2-1-3-5-13)12-20(17)15-6-8-16(9-7-15)21(24)25/h1-9,14H,10-12H2,(H,19,23)/t14-/m1/s1
InChIKeyZMXNEECHAYVUSW-CQSZACIVSA-N
MW339.35 g/mol
LogP2.26
Rot. Bonds5

About (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9056074) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9056074
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C18H17N3O4/c22-17-10-14(18(23)19-11-13-4-2-1-3-5-13)12-20(17)15-6-8-16(9-7-15)21(24)25/h1-9,14H,10-12H2,(H,19,23)/t14-/m1/s1
InChIKeyZMXNEECHAYVUSW-CQSZACIVSA-N
XLogP2.26
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.26
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 (3R)-N-benzyl-1-(4-nitrophenyl)-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

N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
(3R)-N-benzyl-1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056588
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
N-benzyl-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 45491975
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932453
4-[[(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9005264
N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55579173

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 9056074) is (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZMXNEECHAYVUSW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17-10-14(18(23)19-11-13-4-2-1-3-5-13)12-20(17)15-6-8-16(9-7-15)21(24)25/h1-9,14H,10-12H2,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9056074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).