1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide

C15H19Cl2NO2 — CID 91448515

IUPAC1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1CCO
InChIInChI=1S/C15H19Cl2NO2/c16-12-5-4-11(9-13(12)17)15(14(18)20)7-2-1-3-10(15)6-8-19/h4-5,9-10,19H,1-3,6-8H2,(H2,18,20)
InChIKeyGEGAYRSCCUJLOH-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.29
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide

1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 91448515) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID91448515
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1CCO
InChIInChI=1S/C15H19Cl2NO2/c16-12-5-4-11(9-13(12)17)15(14(18)20)7-2-1-3-10(15)6-8-19/h4-5,9-10,19H,1-3,6-8H2,(H2,18,20)
InChIKeyGEGAYRSCCUJLOH-UHFFFAOYSA-N
XLogP3.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-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

Related Compounds

cis-(1R,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexane-1-carboxylic acid
CID 154826562
1-(4-Chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 91103310
4,6-Dicarbamoyl-4-(3,4-dichlorophenyl)hexanoic acid
CID 18426773
cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide
CID 53391518
cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-ethyl-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 58566861
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide
CID 58566865
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 67421016
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N,N-dimethylcyclohexane-1-carboxamide
CID 68674966
1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide
CID 70873535
1-(3,4-dichlorophenyl)-N-ethyl-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 76832058
2-[2-(Aminomethyl)-1-(3,4-dichlorophenyl)cyclohexyl]acetic acid
CID 90907402
1-(4-Chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 91429293

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 91448515) is 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide is NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1CCO.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is GEGAYRSCCUJLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-12-5-4-11(9-13(12)17)15(14(18)20)7-2-1-3-10(15)6-8-19/h4-5,9-10,19H,1-3,6-8H2,(H2,18,20).
What are the key properties of 1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide?
1-(3,4-dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 3.29, 4 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-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91448515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).