4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide

C18H17N3O4 — CID 18573302

IUPAC4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-7-8-13(9-16(12)21(24)25)18(23)19-14-10-17(22)20(11-14)15-5-3-2-4-6-15/h2-9,14H,10-11H2,1H3,(H,19,23)
InChIKeyNEIPFCJRPNCVEN-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.44
Rot. Bonds4

About 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide

4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide (PubChem CID 18573302) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
PubChem CID18573302
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-7-8-13(9-16(12)21(24)25)18(23)19-14-10-17(22)20(11-14)15-5-3-2-4-6-15/h2-9,14H,10-11H2,1H3,(H,19,23)
InChIKeyNEIPFCJRPNCVEN-UHFFFAOYSA-N
XLogP2.44
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.44
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-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide
CID 7548609
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7254959
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-nitrobenzamide
CID 7548187
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255372

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide (CID 18573302) is 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The InChIKey is NEIPFCJRPNCVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-7-8-13(9-16(12)21(24)25)18(23)19-14-10-17(22)20(11-14)15-5-3-2-4-6-15/h2-9,14H,10-11H2,1H3,(H,19,23).
What are the key properties of 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide?
4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide has a molecular weight of 339.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 18573302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).