N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide

C15H20ClNO2 — CID 112529064

IUPACN-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(O)CC1
InChIInChI=1S/C15H20ClNO2/c16-13-5-1-11(2-6-13)9-10-17-15(19)12-3-7-14(18)8-4-12/h1-2,5-6,12,14,18H,3-4,7-10H2,(H,17,19)
InChIKeyNOADAKMNQBCCKF-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 112529064) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID112529064
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(O)CC1
InChIInChI=1S/C15H20ClNO2/c16-13-5-1-11(2-6-13)9-10-17-15(19)12-3-7-14(18)8-4-12/h1-2,5-6,12,14,18H,3-4,7-10H2,(H,17,19)
InChIKeyNOADAKMNQBCCKF-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-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

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide (CID 112529064) is N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCC(O)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is NOADAKMNQBCCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-5-1-11(2-6-13)9-10-17-15(19)12-3-7-14(18)8-4-12/h1-2,5-6,12,14,18H,3-4,7-10H2,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 112529064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).