2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide

C18H19N3O4 — CID 3939264

IUPAC2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-12(2)19-18(23)14-8-4-5-9-15(14)20-17(22)11-13-7-3-6-10-16(13)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyTWKZWSPAUGTVHZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.91
Rot. Bonds6

About 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 3939264) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID3939264
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-12(2)19-18(23)14-8-4-5-9-15(14)20-17(22)11-13-7-3-6-10-16(13)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyTWKZWSPAUGTVHZ-UHFFFAOYSA-N
XLogP2.91
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
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'}

Analyze 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide 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-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34756914
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
CID 31969807
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2-nitrophenyl)acetate
CID 7832920

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide (CID 3939264) is 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is TWKZWSPAUGTVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(2)19-18(23)14-8-4-5-9-15(14)20-17(22)11-13-7-3-6-10-16(13)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 341.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 3939264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).