3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide

C15H19ClINO — CID 103221269

IUPAC3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H19ClINO/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19)
InChIKeyOSWVRUUHOQASPX-UHFFFAOYSA-N
MW391.68 g/mol
LogP4.64
Rot. Bonds4

About 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide

3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide (PubChem CID 103221269) has the molecular formula C15H19ClINO and a molecular weight of 391.68 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
PubChem CID103221269
Molecular FormulaC15H19ClINO
Molecular Weight391.68 g/mol
Exact Mass391.02
IUPAC Name3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H19ClINO/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19)
InChIKeyOSWVRUUHOQASPX-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.68
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide 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-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
CID 103747308
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide (CID 103221269) is 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide is O=C(NCCC1CCCCC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide?
The InChIKey is OSWVRUUHOQASPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClINO/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19).
What are the key properties of 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide?
3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide has a molecular weight of 391.68 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide is sourced from PubChem (CID 103221269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).