N-(3-anilinophenyl)-3-nitrobenzamide

C19H15N3O3 — CID 78799022

IUPACN-(3-anilinophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O3/c23-19(14-6-4-11-18(12-14)22(24)25)21-17-10-5-9-16(13-17)20-15-7-2-1-3-8-15/h1-13,20H,(H,21,23)
InChIKeyAMVRMCWUKHRGQO-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.59
Rot. Bonds5

About N-(3-anilinophenyl)-3-nitrobenzamide

N-(3-anilinophenyl)-3-nitrobenzamide (PubChem CID 78799022) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(3-anilinophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-3-nitrobenzamide
PubChem CID78799022
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(3-anilinophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O3/c23-19(14-6-4-11-18(12-14)22(24)25)21-17-10-5-9-16(13-17)20-15-7-2-1-3-8-15/h1-13,20H,(H,21,23)
InChIKeyAMVRMCWUKHRGQO-UHFFFAOYSA-N
XLogP4.59
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.59
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-(3-anilinophenyl)-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

3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-[(3-nitrobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40740169
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-3-nitrobenzamide?
The IUPAC name of N-(3-anilinophenyl)-3-nitrobenzamide (CID 78799022) is N-(3-anilinophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(3-anilinophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(3-anilinophenyl)-3-nitrobenzamide is O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-anilinophenyl)-3-nitrobenzamide?
The InChIKey is AMVRMCWUKHRGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(14-6-4-11-18(12-14)22(24)25)21-17-10-5-9-16(13-17)20-15-7-2-1-3-8-15/h1-13,20H,(H,21,23).
What are the key properties of N-(3-anilinophenyl)-3-nitrobenzamide?
N-(3-anilinophenyl)-3-nitrobenzamide has a molecular weight of 333.35 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-3-nitrobenzamide is sourced from PubChem (CID 78799022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).