1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide

C15H19Cl2NO2 — CID 67421016

IUPAC1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C15H19Cl2NO2/c1-18-14(20)15(7-3-2-4-11(15)9-19)10-5-6-12(16)13(17)8-10/h5-6,8,11,19H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyOXCRJUDPVOAGSC-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.16
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide

1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 67421016) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID67421016
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C15H19Cl2NO2/c1-18-14(20)15(7-3-2-4-11(15)9-19)10-5-6-12(16)13(17)8-10/h5-6,8,11,19H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyOXCRJUDPVOAGSC-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide 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 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide (CID 67421016) is 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1CO.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is OXCRJUDPVOAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-18-14(20)15(7-3-2-4-11(15)9-19)10-5-6-12(16)13(17)8-10/h5-6,8,11,19H,2-4,7,9H2,1H3,(H,18,20).
What are the key properties of 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 67421016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).