4-cyano-N-(2-nitrophenyl)benzamide

C14H9N3O3 — CID 103601565

IUPAC4-cyano-N-(2-nitrophenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H9N3O3/c15-9-10-5-7-11(8-6-10)14(18)16-12-3-1-2-4-13(12)17(19)20/h1-8H,(H,16,18)
InChIKeyYGUKKRZDJRIZBZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.72
Rot. Bonds3

About 4-cyano-N-(2-nitrophenyl)benzamide

4-cyano-N-(2-nitrophenyl)benzamide (PubChem CID 103601565) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-cyano-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-nitrophenyl)benzamide
PubChem CID103601565
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name4-cyano-N-(2-nitrophenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H9N3O3/c15-9-10-5-7-11(8-6-10)14(18)16-12-3-1-2-4-13(12)17(19)20/h1-8H,(H,16,18)
InChIKeyYGUKKRZDJRIZBZ-UHFFFAOYSA-N
XLogP2.72
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601732
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
N-(5-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601735
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
CID 2891364
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
CID 159771520
4-bromo-N-[(2-nitrophenyl)carbamothioyl]benzamide
CID 2893880
N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
CID 78965091

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-nitrophenyl)benzamide?
The IUPAC name of 4-cyano-N-(2-nitrophenyl)benzamide (CID 103601565) is 4-cyano-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-nitrophenyl)benzamide is N#Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-cyano-N-(2-nitrophenyl)benzamide?
The InChIKey is YGUKKRZDJRIZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c15-9-10-5-7-11(8-6-10)14(18)16-12-3-1-2-4-13(12)17(19)20/h1-8H,(H,16,18).
What are the key properties of 4-cyano-N-(2-nitrophenyl)benzamide?
4-cyano-N-(2-nitrophenyl)benzamide has a molecular weight of 267.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 103601565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).