3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide

C20H14N4O6 — CID 4118809

IUPAC3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O6/c25-19(13-5-3-7-15(11-13)23(27)28)21-17-9-1-2-10-18(17)22-20(26)14-6-4-8-16(12-14)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKeyLPHUJMSALIIJJN-UHFFFAOYSA-N
MW406.35 g/mol
LogP4.01
Rot. Bonds6

About 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide

3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide (PubChem CID 4118809) has the molecular formula C20H14N4O6 and a molecular weight of 406.35 g/mol. Its IUPAC name is 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
PubChem CID4118809
Molecular FormulaC20H14N4O6
Molecular Weight406.35 g/mol
Exact Mass406.09
IUPAC Name3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O6/c25-19(13-5-3-7-15(11-13)23(27)28)21-17-9-1-2-10-18(17)22-20(26)14-6-4-8-16(12-14)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKeyLPHUJMSALIIJJN-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-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]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-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(1H-indol-4-yl)-3-nitrobenzamide
CID 57067531
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 27990972
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide (CID 4118809) is 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide is O=C(Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide?
The InChIKey is LPHUJMSALIIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6/c25-19(13-5-3-7-15(11-13)23(27)28)21-17-9-1-2-10-18(17)22-20(26)14-6-4-8-16(12-14)24(29)30/h1-12H,(H,21,25)(H,22,26).
What are the key properties of 3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide?
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]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-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 4118809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).