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

C14H10N4O3 — CID 115678558

IUPAC2-amino-N-(4-cyanophenyl)-3-nitrobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1
InChIInChI=1S/C14H10N4O3/c15-8-9-4-6-10(7-5-9)17-14(19)11-2-1-3-12(13(11)16)18(20)21/h1-7H,16H2,(H,17,19)
InChIKeyXLEHOHNUFXIPLO-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide

2-amino-N-(4-cyanophenyl)-3-nitrobenzamide (PubChem CID 115678558) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-cyanophenyl)-3-nitrobenzamide
PubChem CID115678558
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name2-amino-N-(4-cyanophenyl)-3-nitrobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1
InChIInChI=1S/C14H10N4O3/c15-8-9-4-6-10(7-5-9)17-14(19)11-2-1-3-12(13(11)16)18(20)21/h1-7H,16H2,(H,17,19)
InChIKeyXLEHOHNUFXIPLO-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'}

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Related Compounds

2-amino-N-(3-chlorophenyl)-3-nitrobenzamide
CID 115677622
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 60630970
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
CID 103732229
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660804
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2,3-dinitro-N-phenylbenzamide
CID 18931494

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide (CID 115678558) is 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide is N#Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1.
What is the InChIKey of 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
The InChIKey is XLEHOHNUFXIPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-8-9-4-6-10(7-5-9)17-14(19)11-2-1-3-12(13(11)16)18(20)21/h1-7H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide?
2-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 2-amino-N-(4-cyanophenyl)-3-nitrobenzamide is sourced from PubChem (CID 115678558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).