N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C17H22F3NO3 — CID 86974243

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCC1(O)CCCCCC1
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)13-7-3-4-8-14(13)24-11-15(22)21-12-16(23)9-5-1-2-6-10-16/h3-4,7-8,23H,1-2,5-6,9-12H2,(H,21,22)
InChIKeyYNKBHLKGMILFER-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.29
Rot. Bonds5

About N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 86974243) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID86974243
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCC1(O)CCCCCC1
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)13-7-3-4-8-14(13)24-11-15(22)21-12-16(23)9-5-1-2-6-10-16/h3-4,7-8,23H,1-2,5-6,9-12H2,(H,21,22)
InChIKeyYNKBHLKGMILFER-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213996
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868038
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 115668936
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 87565289
1-amino-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide
CID 119320389
1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 60899190
3-(2-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65103822

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 86974243) is N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccccc1C(F)(F)F)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is YNKBHLKGMILFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c18-17(19,20)13-7-3-4-8-14(13)24-11-15(22)21-12-16(23)9-5-1-2-6-10-16/h3-4,7-8,23H,1-2,5-6,9-12H2,(H,21,22).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 345.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 86974243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).