N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

C19H20N4O4 — CID 17489416

IUPACN-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCc1c(NC(=O)CNc2ccccc2N2CCCC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c1-13-14(7-4-9-16(13)23(26)27)21-18(24)12-20-15-6-2-3-8-17(15)22-11-5-10-19(22)25/h2-4,6-9,20H,5,10-12H2,1H3,(H,21,24)
InChIKeyZTSLJGBVSYTXIZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.08
Rot. Bonds6

About N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 17489416) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID17489416
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCc1c(NC(=O)CNc2ccccc2N2CCCC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c1-13-14(7-4-9-16(13)23(26)27)21-18(24)12-20-15-6-2-3-8-17(15)22-11-5-10-19(22)25/h2-4,6-9,20H,5,10-12H2,1H3,(H,21,24)
InChIKeyZTSLJGBVSYTXIZ-UHFFFAOYSA-N
XLogP3.08
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709787
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542779
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
4-[[2-[2-(2-oxopyrrolidin-1-yl)anilino]acetyl]amino]benzamide
CID 17497451
2-[2-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26542736
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
CID 29354387
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 17489416) is N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is Cc1c(NC(=O)CNc2ccccc2N2CCCC2=O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is ZTSLJGBVSYTXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-14(7-4-9-16(13)23(26)27)21-18(24)12-20-15-6-2-3-8-17(15)22-11-5-10-19(22)25/h2-4,6-9,20H,5,10-12H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 368.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 17489416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).