N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide

C21H17N3O4 — CID 3697987

IUPACN-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O4/c1-14-12-17(22-21(26)16-8-5-9-18(13-16)24(27)28)10-11-19(14)23-20(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,26)(H,23,25)
InChIKeyYQDRREHWMUINMY-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.41
Rot. Bonds5

About N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide

N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide (PubChem CID 3697987) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
PubChem CID3697987
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O4/c1-14-12-17(22-21(26)16-8-5-9-18(13-16)24(27)28)10-11-19(14)23-20(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,26)(H,23,25)
InChIKeyYQDRREHWMUINMY-UHFFFAOYSA-N
XLogP4.41
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.41
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 N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide 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-(4-benzamido-3-methylphenyl)-2-chloro-4-nitrobenzamide
CID 23737728
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-[2-methyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 54781781
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide?
The IUPAC name of N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide (CID 3697987) is N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide is Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide?
The InChIKey is YQDRREHWMUINMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-14-12-17(22-21(26)16-8-5-9-18(13-16)24(27)28)10-11-19(14)23-20(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide?
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide has a molecular weight of 375.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 3697987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).