2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide

C18H17N3O4 — CID 7254984

IUPAC2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H17N3O4/c22-17(10-13-6-8-16(9-7-13)21(24)25)19-14-11-18(23)20(12-14)15-4-2-1-3-5-15/h1-9,14H,10-12H2,(H,19,22)/t14-/m0/s1
InChIKeyFMJRYQYVBDSKGS-AWEZNQCLSA-N
MW339.35 g/mol
LogP2.06
Rot. Bonds5

About 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide

2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide (PubChem CID 7254984) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
PubChem CID7254984
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H17N3O4/c22-17(10-13-6-8-16(9-7-13)21(24)25)19-14-11-18(23)20(12-14)15-4-2-1-3-5-15/h1-9,14H,10-12H2,(H,19,22)/t14-/m0/s1
InChIKeyFMJRYQYVBDSKGS-AWEZNQCLSA-N
XLogP2.06
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 ≤ 52.06
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-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide
CID 7255046
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7254959
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 7546964
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide (CID 7254984) is 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is FMJRYQYVBDSKGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17(10-13-6-8-16(9-7-13)21(24)25)19-14-11-18(23)20(12-14)15-4-2-1-3-5-15/h1-9,14H,10-12H2,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide?
2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7254984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).