4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide

C15H15N3O3 — CID 103145399

IUPAC4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H15N3O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h3-8H,16H2,1-2H3,(H,17,19)
InChIKeyWTLNPJXFDAXOTR-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.05
Rot. Bonds3

About 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide

4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide (PubChem CID 103145399) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
PubChem CID103145399
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H15N3O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h3-8H,16H2,1-2H3,(H,17,19)
InChIKeyWTLNPJXFDAXOTR-UHFFFAOYSA-N
XLogP3.05
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide 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

N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
N-(5-amino-2-fluorophenyl)-3-methyl-4-nitrobenzamide
CID 43600154
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103145462
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 103145316
4-methyl-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 7365047

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide?
The IUPAC name of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide (CID 103145399) is 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide?
The canonical SMILES for 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide?
The InChIKey is WTLNPJXFDAXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h3-8H,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide?
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide has a molecular weight of 285.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 103145399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).