5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

C20H15N3O4 — CID 632339

IUPAC5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C20H15N3O4/c24-19(21-16-7-3-1-4-8-16)14-11-15(13-18(12-14)23(26)27)20(25)22-17-9-5-2-6-10-17/h1-13H,(H,21,24)(H,22,25)
InChIKeyRNLUSMDWXFRCFV-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.10
Rot. Bonds5

About 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (PubChem CID 632339) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
PubChem CID632339
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C20H15N3O4/c24-19(21-16-7-3-1-4-8-16)14-11-15(13-18(12-14)23(26)27)20(25)22-17-9-5-2-6-10-17/h1-13H,(H,21,24)(H,22,25)
InChIKeyRNLUSMDWXFRCFV-UHFFFAOYSA-N
XLogP4.10
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.10
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 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide 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

5-[(3-carboxy-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 177101817
CID 70615376
CID 70615376
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
3,5-bis[(3,5-dinitrobenzoyl)amino]benzoic acid
CID 3958102
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 2873591
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (CID 632339) is 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is O=C(Nc1ccccc1)c1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The InChIKey is RNLUSMDWXFRCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-19(21-16-7-3-1-4-8-16)14-11-15(13-18(12-14)23(26)27)20(25)22-17-9-5-2-6-10-17/h1-13H,(H,21,24)(H,22,25).
What are the key properties of 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide has a molecular weight of 361.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 632339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).