N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide

C15H20ClNO2 — CID 51941928

IUPACN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20ClNO2/c16-13-8-4-7-12(9-13)14(18)10-17-15(19)11-5-2-1-3-6-11/h4,7-9,11,14,18H,1-3,5-6,10H2,(H,17,19)/t14-/m1/s1
InChIKeyCXTCIUHLPUSFBG-CQSZACIVSA-N
MW281.78 g/mol
LogP3.07
Rot. Bonds4

About N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide

N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide (PubChem CID 51941928) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
PubChem CID51941928
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20ClNO2/c16-13-8-4-7-12(9-13)14(18)10-17-15(19)11-5-2-1-3-6-11/h4,7-9,11,14,18H,1-3,5-6,10H2,(H,17,19)/t14-/m1/s1
InChIKeyCXTCIUHLPUSFBG-CQSZACIVSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide 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

N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 96501089
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 139768814
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 100696828
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
2-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119287112
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97206238
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide
CID 111539033

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide (CID 51941928) is N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide is O=C(NC[C@@H](O)c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
The InChIKey is CXTCIUHLPUSFBG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-8-4-7-12(9-13)14(18)10-17-15(19)11-5-2-1-3-6-11/h4,7-9,11,14,18H,1-3,5-6,10H2,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide has a molecular weight of 281.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide is sourced from PubChem (CID 51941928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).