3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C18H17N3O4 — CID 39902627

IUPAC3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-4-2-5-15(17(12)21(24)25)18(23)19-13-7-9-14(10-8-13)20-11-3-6-16(20)22/h2,4-5,7-10H,3,6,11H2,1H3,(H,19,23)
InChIKeyHLRIAKAFSSZIQG-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.28
Rot. Bonds4

About 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 39902627) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID39902627
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-4-2-5-15(17(12)21(24)25)18(23)19-13-7-9-14(10-8-13)20-11-3-6-16(20)22/h2,4-5,7-10H,3,6,11H2,1H3,(H,19,23)
InChIKeyHLRIAKAFSSZIQG-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
4,5-dimethoxy-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686410
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzamide
CID 7686563
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
3-(methanesulfonamido)-2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92673482
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-methyl-2-nitrobenzamide
CID 46428530
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28547841
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
3-methyl-N-[4-(4-methylphenoxy)phenyl]-2-nitrobenzamide
CID 7925169
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27838215

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 39902627) is 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is HLRIAKAFSSZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-4-2-5-15(17(12)21(24)25)18(23)19-13-7-9-14(10-8-13)20-11-3-6-16(20)22/h2,4-5,7-10H,3,6,11H2,1H3,(H,19,23).
What are the key properties of 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 39902627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).