N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide

C16H20F3NO2 — CID 71968977

IUPACN-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1cccc(O)c1)N(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)8-9-20(13-5-1-2-6-13)15(22)11-12-4-3-7-14(21)10-12/h3-4,7,10,13,21H,1-2,5-6,8-9,11H2
InChIKeyQNBCLURSZBAMDX-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.66
Rot. Bonds5

About N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide

N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 71968977) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID71968977
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1cccc(O)c1)N(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)8-9-20(13-5-1-2-6-13)15(22)11-12-4-3-7-14(21)10-12/h3-4,7,10,13,21H,1-2,5-6,8-9,11H2
InChIKeyQNBCLURSZBAMDX-UHFFFAOYSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 80678119
N-(3-aminopropyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 61399131
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122145985
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107493683
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide (CID 71968977) is N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide is O=C(Cc1cccc(O)c1)N(CCC(F)(F)F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is QNBCLURSZBAMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)8-9-20(13-5-1-2-6-13)15(22)11-12-4-3-7-14(21)10-12/h3-4,7,10,13,21H,1-2,5-6,8-9,11H2.
What are the key properties of N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide?
N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 71968977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).