2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

C17H22F3NO3 — CID 111430375

IUPAC2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)12-24-11-14-5-3-13(4-6-14)10-21-15(22)9-16(23)7-1-2-8-16/h3-6,23H,1-2,7-12H2,(H,21,22)
InChIKeyFWYZFGNIDWYASM-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.08
Rot. Bonds7

About 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (PubChem CID 111430375) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
PubChem CID111430375
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Name2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)12-24-11-14-5-3-13(4-6-14)10-21-15(22)9-16(23)7-1-2-8-16/h3-6,23H,1-2,7-12H2,(H,21,22)
InChIKeyFWYZFGNIDWYASM-UHFFFAOYSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 111331803
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 51611832
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 16582112
3-(3-but-3-ynyldiazirin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 167807779
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
1-(4-methylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 17486584
1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 36965311
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899
3-(3,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 18291272
tert-butyl N-[4-oxo-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butyl]carbamate
CID 55527464

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (CID 111430375) is 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is O=C(CC1(O)CCCC1)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is FWYZFGNIDWYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c18-17(19,20)12-24-11-14-5-3-13(4-6-14)10-21-15(22)9-16(23)7-1-2-8-16/h3-6,23H,1-2,7-12H2,(H,21,22).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 345.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 111430375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).