2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide

C17H24ClNO2 — CID 65121812

IUPAC2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
SMILESCCC1CCC(O)(CNC(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClNO2/c1-2-13-7-9-17(21,10-8-13)12-19-16(20)11-14-5-3-4-6-15(14)18/h3-6,13,21H,2,7-12H2,1H3,(H,19,20)
InChIKeyJBKBEVYZZGJIFO-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide

2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 65121812) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
PubChem CID65121812
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
SMILESCCC1CCC(O)(CNC(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClNO2/c1-2-13-7-9-17(21,10-8-13)12-19-16(20)11-14-5-3-4-6-15(14)18/h3-6,13,21H,2,7-12H2,1H3,(H,19,20)
InChIKeyJBKBEVYZZGJIFO-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722817
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114757833
2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119061
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 65119962
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103209091
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
9H-fluoren-9-ylmethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65121619

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide (CID 65121812) is 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide is CCC1CCC(O)(CNC(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is JBKBEVYZZGJIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-2-13-7-9-17(21,10-8-13)12-19-16(20)11-14-5-3-4-6-15(14)18/h3-6,13,21H,2,7-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 65121812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).