N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide

C21H19F6NO — CID 2796967

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C21H19F6NO/c22-20(23,24)15-10-16(21(25,26)27)12-17(11-15)28-19(29)18(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,10-12,14,18H,4-5,8-9H2,(H,28,29)
InChIKeyYIOMUNPXWROPOT-UHFFFAOYSA-N
MW415.38 g/mol
LogP6.64
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide (PubChem CID 2796967) has the molecular formula C21H19F6NO and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
PubChem CID2796967
Molecular FormulaC21H19F6NO
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C21H19F6NO/c22-20(23,24)15-10-16(21(25,26)27)12-17(11-15)28-19(29)18(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,10-12,14,18H,4-5,8-9H2,(H,28,29)
InChIKeyYIOMUNPXWROPOT-UHFFFAOYSA-N
XLogP6.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.38
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118091125
1-[[3-[[(2S)-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 57344330
(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 42544780
(2R)-2-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylacetamide
CID 95989343
N-[1-(azetidin-3-yl)pyrazol-4-yl]-2-cyclopentyl-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 172895316
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclohexanecarboxylate
CID 4168101
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849
2-cyclopropyl-N-(2-methyl-4-pyridinyl)-2-phenylacetamide
CID 110675345
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate
CID 7863853

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide (CID 2796967) is N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide?
The InChIKey is YIOMUNPXWROPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6NO/c22-20(23,24)15-10-16(21(25,26)27)12-17(11-15)28-19(29)18(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,10-12,14,18H,4-5,8-9H2,(H,28,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide has a molecular weight of 415.38 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide is sourced from PubChem (CID 2796967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).