2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide

C18H17N3O4 — CID 95234327

IUPAC2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1c(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-14(8-5-9-16(12)21(24)25)17(22)19-15-10-11-20(18(15)23)13-6-3-2-4-7-13/h2-9,15H,10-11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyGAEXPKKJSLHTAB-OAHLLOKOSA-N
MW339.35 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide

2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 95234327) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID95234327
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1c(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-14(8-5-9-16(12)21(24)25)17(22)19-15-10-11-20(18(15)23)13-6-3-2-4-7-13/h2-9,15H,10-11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyGAEXPKKJSLHTAB-OAHLLOKOSA-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

4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
2-methyl-3-nitro-N-[(3S)-2-oxothiolan-3-yl]benzamide
CID 755948
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
2-methyl-N-[4-(methylamino)cyclohexyl]-3-nitrobenzamide
CID 79117750
3-(4-acetyl-2-nitroanilino)-1-phenylpyrrolidin-2-one
CID 133296511
N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
CID 119474933
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
2-methyl-3-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386306
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide
CID 16822184
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 95234327) is 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is Cc1c(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is GAEXPKKJSLHTAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-14(8-5-9-16(12)21(24)25)17(22)19-15-10-11-20(18(15)23)13-6-3-2-4-7-13/h2-9,15H,10-11H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
2-methyl-3-nitro-N-[(3R)-2-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 2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95234327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).