N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C17H22F3NO2 — CID 91772069

IUPACN-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NCC1CCC(CO)CC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)15-4-2-1-3-14(15)9-16(23)21-10-12-5-7-13(11-22)8-6-12/h1-4,12-13,22H,5-11H2,(H,21,23)
InChIKeyIUGJLENOXYYHAE-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 91772069) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID91772069
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NCC1CCC(CO)CC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)15-4-2-1-3-14(15)9-16(23)21-10-12-5-7-13(11-22)8-6-12/h1-4,12-13,22H,5-11H2,(H,21,23)
InChIKeyIUGJLENOXYYHAE-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
CID 97225759
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106124800
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119456983
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91777227
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 97237905

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 91772069) is N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1C(F)(F)F)NCC1CCC(CO)CC1.
What is the InChIKey of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IUGJLENOXYYHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c18-17(19,20)15-4-2-1-3-14(15)9-16(23)21-10-12-5-7-13(11-22)8-6-12/h1-4,12-13,22H,5-11H2,(H,21,23).
What are the key properties of N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91772069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).