2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide

C22H19N3O4 — CID 78794488

IUPAC2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C22H19N3O4/c1-14-6-5-7-16(12-14)21(26)23-19-9-4-3-8-18(19)22(27)24-20-13-17(25(28)29)11-10-15(20)2/h3-13H,1-2H3,(H,23,26)(H,24,27)
InChIKeyBVVLUBQBUCCCSJ-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.72
Rot. Bonds5

About 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide

2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 78794488) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID78794488
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C22H19N3O4/c1-14-6-5-7-16(12-14)21(26)23-19-9-4-3-8-18(19)22(27)24-20-13-17(25(28)29)11-10-15(20)2/h3-13H,1-2H3,(H,23,26)(H,24,27)
InChIKeyBVVLUBQBUCCCSJ-UHFFFAOYSA-N
XLogP4.72
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.72
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-[(3-methylbenzoyl)amino]-N-(2-methyl-5-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-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 104852061
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
CID 158380804
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 126262288

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide (CID 78794488) is 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is BVVLUBQBUCCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-6-5-7-16(12-14)21(26)23-19-9-4-3-8-18(19)22(27)24-20-13-17(25(28)29)11-10-15(20)2/h3-13H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide?
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 389.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 78794488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).