3-cyano-N-(2-iodophenyl)benzamide

C14H9IN2O — CID 7900624

IUPAC3-cyano-N-(2-iodophenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccccc2I)c1
InChIInChI=1S/C14H9IN2O/c15-12-6-1-2-7-13(12)17-14(18)11-5-3-4-10(8-11)9-16/h1-8H,(H,17,18)
InChIKeyFHEQHJOTUMMLLJ-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.42
Rot. Bonds2

About 3-cyano-N-(2-iodophenyl)benzamide

3-cyano-N-(2-iodophenyl)benzamide (PubChem CID 7900624) has the molecular formula C14H9IN2O and a molecular weight of 348.14 g/mol. Its IUPAC name is 3-cyano-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-iodophenyl)benzamide
PubChem CID7900624
Molecular FormulaC14H9IN2O
Molecular Weight348.14 g/mol
Exact Mass347.98
IUPAC Name3-cyano-N-(2-iodophenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccccc2I)c1
InChIInChI=1S/C14H9IN2O/c15-12-6-1-2-7-13(12)17-14(18)11-5-3-4-10(8-11)9-16/h1-8H,(H,17,18)
InChIKeyFHEQHJOTUMMLLJ-UHFFFAOYSA-N
XLogP3.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-cyano-N-(2-iodophenyl)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

3-hydroxy-N-(2-iodophenyl)benzamide
CID 28826262
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-cyanobenzamide
CID 8009499
methyl 3-[(3-cyanobenzoyl)amino]-2-hydroxybenzoate
CID 108745882
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-iodophenyl)benzamide?
The IUPAC name of 3-cyano-N-(2-iodophenyl)benzamide (CID 7900624) is 3-cyano-N-(2-iodophenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-iodophenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-iodophenyl)benzamide is N#Cc1cccc(C(=O)Nc2ccccc2I)c1.
What is the InChIKey of 3-cyano-N-(2-iodophenyl)benzamide?
The InChIKey is FHEQHJOTUMMLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O/c15-12-6-1-2-7-13(12)17-14(18)11-5-3-4-10(8-11)9-16/h1-8H,(H,17,18).
What are the key properties of 3-cyano-N-(2-iodophenyl)benzamide?
3-cyano-N-(2-iodophenyl)benzamide has a molecular weight of 348.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 7900624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).