(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H15N3O4 — CID 7325425

IUPAC(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15N3O4/c21-16-10-12(11-19(16)14-4-2-1-3-5-14)17(22)18-13-6-8-15(9-7-13)20(23)24/h1-9,12H,10-11H2,(H,18,22)/t12-/m1/s1
InChIKeyNGCGRNZQKXHOCZ-GFCCVEGCSA-N
MW325.32 g/mol
LogP2.59
Rot. Bonds4

About (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 7325425) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID7325425
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15N3O4/c21-16-10-12(11-19(16)14-4-2-1-3-5-14)17(22)18-13-6-8-15(9-7-13)20(23)24/h1-9,12H,10-11H2,(H,18,22)/t12-/m1/s1
InChIKeyNGCGRNZQKXHOCZ-GFCCVEGCSA-N
XLogP2.59
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.59
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'}

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Related Compounds

4-[[(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9005264
(3S)-1-(4-chlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7160854
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
N-(2-methyl-4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080530
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056074
(3S)-N-(4-methyl-3-nitrophenyl)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056099
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3118870
(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529112
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 7325425) is (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is NGCGRNZQKXHOCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-16-10-12(11-19(16)14-4-2-1-3-5-14)17(22)18-13-6-8-15(9-7-13)20(23)24/h1-9,12H,10-11H2,(H,18,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 7325425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).