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

C18H17N3O4 — CID 26709787

IUPAC2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2N2CCCC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-13(6-4-9-15(12)21(24)25)18(23)19-14-7-2-3-8-16(14)20-11-5-10-17(20)22/h2-4,6-9H,5,10-11H2,1H3,(H,19,23)
InChIKeyPQYXCWYPSJWHON-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.28
Rot. Bonds4

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

2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 26709787) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID26709787
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2N2CCCC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O4/c1-12-13(6-4-9-15(12)21(24)25)18(23)19-14-7-2-3-8-16(14)20-11-5-10-17(20)22/h2-4,6-9H,5,10-11H2,1H3,(H,19,23)
InChIKeyPQYXCWYPSJWHON-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-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17489416
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzamide
CID 7686563
3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18204927
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 25358999
ethyl 4-[2-[(2-methyl-3-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311396
2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903884
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 26709787) is 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is Cc1c(C(=O)Nc2ccccc2N2CCCC2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is PQYXCWYPSJWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-13(6-4-9-15(12)21(24)25)18(23)19-14-7-2-3-8-16(14)20-11-5-10-17(20)22/h2-4,6-9H,5,10-11H2,1H3,(H,19,23).
What are the key properties of 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2-methyl-3-nitro-N-[2-(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 2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 26709787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).