4-amino-N-(4-cyanophenyl)-3-nitrobenzamide

C14H10N4O3 — CID 60630970

IUPAC4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H10N4O3/c15-8-9-1-4-11(5-2-9)17-14(19)10-3-6-12(16)13(7-10)18(20)21/h1-7H,16H2,(H,17,19)
InChIKeySGNAJLBCLSZSHO-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.30
Rot. Bonds3

About 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide

4-amino-N-(4-cyanophenyl)-3-nitrobenzamide (PubChem CID 60630970) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
PubChem CID60630970
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H10N4O3/c15-8-9-1-4-11(5-2-9)17-14(19)10-3-6-12(16)13(7-10)18(20)21/h1-7H,16H2,(H,17,19)
InChIKeySGNAJLBCLSZSHO-UHFFFAOYSA-N
XLogP2.30
TPSA122.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-cyanophenyl)-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

4-amino-N-[4-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115885265
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571
4-amino-3-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 60516646
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
3-amino-4-bromo-N-(4-cyanophenyl)benzamide
CID 61091150
4-amino-N-(3-ethynylphenyl)-3-nitrobenzamide
CID 31812447
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-nitrobenzamide
CID 38402521
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
4-amino-3-nitrobenzonitrile
CID 595901
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
CID 8921001
N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
CID 78953284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide (CID 60630970) is 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide is N#Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
The InChIKey is SGNAJLBCLSZSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-8-9-1-4-11(5-2-9)17-14(19)10-3-6-12(16)13(7-10)18(20)21/h1-7H,16H2,(H,17,19).
What are the key properties of 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide has a molecular weight of 282.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)-3-nitrobenzamide is sourced from PubChem (CID 60630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).