3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide

C16H21Cl2NO — CID 81324250

IUPAC3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(CCCl)C2CCCCC2)c1
InChIInChI=1S/C16H21Cl2NO/c1-12-9-13(11-14(18)10-12)16(20)19(8-7-17)15-5-3-2-4-6-15/h9-11,15H,2-8H2,1H3
InChIKeyJKSHPJVGWRXCAM-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.66
Rot. Bonds4

About 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide

3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide (PubChem CID 81324250) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
PubChem CID81324250
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(CCCl)C2CCCCC2)c1
InChIInChI=1S/C16H21Cl2NO/c1-12-9-13(11-14(18)10-12)16(20)19(8-7-17)15-5-3-2-4-6-15/h9-11,15H,2-8H2,1H3
InChIKeyJKSHPJVGWRXCAM-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide 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

3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
CID 63391701
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
3-chloro-N-(2-chloroethyl)-N,5-dimethylbenzamide
CID 81324251
3-chloro-N-(2-chloroethyl)-N-ethyl-5-methylbenzamide
CID 81324424
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
3-chloro-N-(2-chloroethyl)-5-methyl-N-propylbenzamide
CID 81324581
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide (CID 81324250) is 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)N(CCCl)C2CCCCC2)c1.
What is the InChIKey of 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide?
The InChIKey is JKSHPJVGWRXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-12-9-13(11-14(18)10-12)16(20)19(8-7-17)15-5-3-2-4-6-15/h9-11,15H,2-8H2,1H3.
What are the key properties of 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide?
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide has a molecular weight of 314.26 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide is sourced from PubChem (CID 81324250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).