2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide

C15H19F3N2O2 — CID 37231584

IUPAC2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1cccc(OC2CCCC2)c1)NCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-20-14(21)9-19-11-4-3-7-13(8-11)22-12-5-1-2-6-12/h3-4,7-8,12,19H,1-2,5-6,9-10H2,(H,20,21)
InChIKeyJAQGECVWRJONOM-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.10
Rot. Bonds6

About 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 37231584) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID37231584
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1cccc(OC2CCCC2)c1)NCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-20-14(21)9-19-11-4-3-7-13(8-11)22-12-5-1-2-6-12/h3-4,7-8,12,19H,1-2,5-6,9-10H2,(H,20,21)
InChIKeyJAQGECVWRJONOM-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
2-(3-cyclopentyloxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37231455
N-(3-chloro-2-methylphenyl)-2-(3-cyclopentyloxyanilino)acetamide
CID 37231284
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 37231421
3-(3-cyclopentyloxyanilino)propane-1,2-diol
CID 168595070
N-(3-cyclopentyloxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119714958
2-(3-cyclopentyloxyanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55626488
2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37231406
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 37231584) is 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1cccc(OC2CCCC2)c1)NCC(F)(F)F.
What is the InChIKey of 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JAQGECVWRJONOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)10-20-14(21)9-19-11-4-3-7-13(8-11)22-12-5-1-2-6-12/h3-4,7-8,12,19H,1-2,5-6,9-10H2,(H,20,21).
What are the key properties of 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 316.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 37231584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).