2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide

C17H15N3O4 — CID 7254959

IUPAC2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4/c21-16-10-12(11-19(16)13-6-2-1-3-7-13)18-17(22)14-8-4-5-9-15(14)20(23)24/h1-9,12H,10-11H2,(H,18,22)/t12-/m0/s1
InChIKeyPDTFTFASNYAWJP-LBPRGKRZSA-N
MW325.32 g/mol
LogP2.13
Rot. Bonds4

About 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide

2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 7254959) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID7254959
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4/c21-16-10-12(11-19(16)13-6-2-1-3-7-13)18-17(22)14-8-4-5-9-15(14)20(23)24/h1-9,12H,10-11H2,(H,18,22)/t12-/m0/s1
InChIKeyPDTFTFASNYAWJP-LBPRGKRZSA-N
XLogP2.13
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 ≤ 52.13
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

N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-nitrobenzamide
CID 7548187
4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 18573302
2-fluoro-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546765
2-fluoro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546766
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide
CID 16822184
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 7546827
2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254984
2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 110736815
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255002
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 7254959) is 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide is O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is PDTFTFASNYAWJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-16-10-12(11-19(16)13-6-2-1-3-7-13)18-17(22)14-8-4-5-9-15(14)20(23)24/h1-9,12H,10-11H2,(H,18,22)/t12-/m0/s1.
What are the key properties of 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide has a molecular weight of 325.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7254959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).