2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C16H20F3NO3 — CID 111539254

IUPAC2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1cc(NC(=O)CC2(O)CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C16H20F3NO3/c1-11-8-12(4-5-13(11)23-10-16(17,18)19)20-14(21)9-15(22)6-2-3-7-15/h4-5,8,22H,2-3,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUQAOWJIYRRJDHU-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.57
Rot. Bonds5

About 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 111539254) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID111539254
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1cc(NC(=O)CC2(O)CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C16H20F3NO3/c1-11-8-12(4-5-13(11)23-10-16(17,18)19)20-14(21)9-15(22)6-2-3-7-15/h4-5,8,22H,2-3,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUQAOWJIYRRJDHU-UHFFFAOYSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329926
2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111331984
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021
3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 120611044
2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide
CID 111539253
1-(3-hydroxypropyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437785
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538466
3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119794829
5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 136554877
1-(2-methylsulfinylethyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 71992089
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 95774170

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 111539254) is 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is Cc1cc(NC(=O)CC2(O)CCCC2)ccc1OCC(F)(F)F.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is UQAOWJIYRRJDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-11-8-12(4-5-13(11)23-10-16(17,18)19)20-14(21)9-15(22)6-2-3-7-15/h4-5,8,22H,2-3,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 331.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 111539254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).