4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide

C20H15N3O3 — CID 11450808

IUPAC4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O3/c24-20(16-11-13-19(14-12-16)23(25)26)22(18-9-5-2-6-10-18)15-21-17-7-3-1-4-8-17/h1-15H/b21-15+
InChIKeyDJTQIJGVGVTDDX-RCCKNPSSSA-N
MW345.36 g/mol
LogP4.60
Rot. Bonds5

About 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide

4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide (PubChem CID 11450808) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide.

Molecular Properties

Compound Name4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide
PubChem CID11450808
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O3/c24-20(16-11-13-19(14-12-16)23(25)26)22(18-9-5-2-6-10-18)15-21-17-7-3-1-4-8-17/h1-15H/b21-15+
InChIKeyDJTQIJGVGVTDDX-RCCKNPSSSA-N
XLogP4.60
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-N-phenyl-N-(phenyliminomethyl)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

(E)-N-(4-nitrophenyl)-2-phenylbut-2-en-1-imine
CID 177420573
(4-nitrophenyl)-phenyldiazene
CID 17222
1-methanehydrazonoyl-3-(4-nitrophenyl)-1-phenylthiourea
CID 71390613
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
N-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 53437534
N-(4-methoxyphenyl)-N-[C-(4-methylphenyl)-N-phenylcarbonimidoyl]-4-nitrobenzamide
CID 4779222
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
4-nitrobenzoate;vanadium
CID 172712620

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide?
The IUPAC name of 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide (CID 11450808) is 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide.
What is the SMILES notation for 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide?
The canonical SMILES for 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1)N(/C=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide?
The InChIKey is DJTQIJGVGVTDDX-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-20(16-11-13-19(14-12-16)23(25)26)22(18-9-5-2-6-10-18)15-21-17-7-3-1-4-8-17/h1-15H/b21-15+.
What are the key properties of 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide?
4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide is sourced from PubChem (CID 11450808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).