N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide

C22H19N3O4 — CID 4944387

IUPACN-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C22H19N3O4/c1-14-10-11-17(12-15(14)2)23-22(27)19-8-3-4-9-20(19)24-21(26)16-6-5-7-18(13-16)25(28)29/h3-13H,1-2H3,(H,23,27)(H,24,26)
InChIKeyZKZIIOHNMDZJKV-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.72
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide

N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide (PubChem CID 4944387) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
PubChem CID4944387
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C22H19N3O4/c1-14-10-11-17(12-15(14)2)23-22(27)19-8-3-4-9-20(19)24-21(26)16-6-5-7-18(13-16)25(28)29/h3-13H,1-2H3,(H,23,27)(H,24,26)
InChIKeyZKZIIOHNMDZJKV-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'}

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Related Compounds

2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
N-(3,4-dimethylphenyl)-3,5-dinitrobenzamide
CID 5181913
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide (CID 4944387) is N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The InChIKey is ZKZIIOHNMDZJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-10-11-17(12-15(14)2)23-22(27)19-8-3-4-9-20(19)24-21(26)16-6-5-7-18(13-16)25(28)29/h3-13H,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide?
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]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 N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 4944387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).