2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

C17H22F3NO3 — CID 111331984

IUPAC2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1ccc(NC(=O)CC2(O)CCCCC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C17H22F3NO3/c1-12-5-6-13(14(9-12)24-11-17(18,19)20)21-15(22)10-16(23)7-3-2-4-8-16/h5-6,9,23H,2-4,7-8,10-11H2,1H3,(H,21,22)
InChIKeyIHPSOAXYUVLGJE-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.96
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 111331984) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID111331984
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Name2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1ccc(NC(=O)CC2(O)CCCCC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C17H22F3NO3/c1-12-5-6-13(14(9-12)24-11-17(18,19)20)21-15(22)10-16(23)7-3-2-4-8-16/h5-6,9,23H,2-4,7-8,10-11H2,1H3,(H,21,22)
InChIKeyIHPSOAXYUVLGJE-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(2-methoxy-4-methylphenyl)acetamide
CID 111537056
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
2-(1-hydroxycyclopentyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 111430326
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
1-cyclopropyl-1-(2-hydroxyethyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 110903994
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
3-methyl-1-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077733
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 111331984) is 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is Cc1ccc(NC(=O)CC2(O)CCCCC2)c(OCC(F)(F)F)c1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is IHPSOAXYUVLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c1-12-5-6-13(14(9-12)24-11-17(18,19)20)21-15(22)10-16(23)7-3-2-4-8-16/h5-6,9,23H,2-4,7-8,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 345.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 111331984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).