3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide

C20H14N4O6 — CID 17259456

IUPAC3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O6/c25-19(13-7-9-17(10-8-13)23(27)28)21-15-4-1-3-14(11-15)20(26)22-16-5-2-6-18(12-16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKeyPYUOJXVGIFLTKG-UHFFFAOYSA-N
MW406.35 g/mol
LogP4.01
Rot. Bonds6

About 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide

3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide (PubChem CID 17259456) has the molecular formula C20H14N4O6 and a molecular weight of 406.35 g/mol. Its IUPAC name is 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
PubChem CID17259456
Molecular FormulaC20H14N4O6
Molecular Weight406.35 g/mol
Exact Mass406.09
IUPAC Name3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O6/c25-19(13-7-9-17(10-8-13)23(27)28)21-15-4-1-3-14(11-15)20(26)22-16-5-2-6-18(12-16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKeyPYUOJXVGIFLTKG-UHFFFAOYSA-N
XLogP4.01
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(4-nitrobenzoyl)amino]-N-(3-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

3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-nitrobenzamide
CID 24705666
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide?
The IUPAC name of 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide (CID 17259456) is 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide?
The InChIKey is PYUOJXVGIFLTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6/c25-19(13-7-9-17(10-8-13)23(27)28)21-15-4-1-3-14(11-15)20(26)22-16-5-2-6-18(12-16)24(29)30/h1-12H,(H,21,25)(H,22,26).
What are the key properties of 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide?
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide has a molecular weight of 406.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 17259456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).