5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide

C12H10ClIN2O — CID 113233627

IUPAC5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
SMILESN#CC(NC(=O)c1cc(Cl)ccc1I)C1CC1
InChIInChI=1S/C12H10ClIN2O/c13-8-3-4-10(14)9(5-8)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyQFOCFENYTFRVBW-UHFFFAOYSA-N
MW360.58 g/mol
LogP2.98
Rot. Bonds3

About 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide

5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide (PubChem CID 113233627) has the molecular formula C12H10ClIN2O and a molecular weight of 360.58 g/mol. Its IUPAC name is 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
PubChem CID113233627
Molecular FormulaC12H10ClIN2O
Molecular Weight360.58 g/mol
Exact Mass359.95
IUPAC Name5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
SMILESN#CC(NC(=O)c1cc(Cl)ccc1I)C1CC1
InChIInChI=1S/C12H10ClIN2O/c13-8-3-4-10(14)9(5-8)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyQFOCFENYTFRVBW-UHFFFAOYSA-N
XLogP2.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide (CID 113233627) is 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide is N#CC(NC(=O)c1cc(Cl)ccc1I)C1CC1.
What is the InChIKey of 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide?
The InChIKey is QFOCFENYTFRVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O/c13-8-3-4-10(14)9(5-8)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17).
What are the key properties of 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide?
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide has a molecular weight of 360.58 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide is sourced from PubChem (CID 113233627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).