2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide

C18H18F3NO2 — CID 174555977

IUPAC2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide
SMILESCC(CC(O)(C(=O)Nc1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-13(14-8-4-2-5-9-14)12-17(24,18(19,20)21)16(23)22-15-10-6-3-7-11-15/h2-11,13,24H,12H2,1H3,(H,22,23)
InChIKeyBFSICUOQWJCSMF-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.11
Rot. Bonds5

About 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide

2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide (PubChem CID 174555977) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide
PubChem CID174555977
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide
SMILESCC(CC(O)(C(=O)Nc1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-13(14-8-4-2-5-9-14)12-17(24,18(19,20)21)16(23)22-15-10-6-3-7-11-15/h2-11,13,24H,12H2,1H3,(H,22,23)
InChIKeyBFSICUOQWJCSMF-UHFFFAOYSA-N
XLogP4.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide
CID 59107792
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 91341594
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
2-ethyl-2,6-dimethyl-N,4-diphenylheptanamide
CID 91134659
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 42960098
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide
CID 164683364

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide (CID 174555977) is 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide is CC(CC(O)(C(=O)Nc1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide?
The InChIKey is BFSICUOQWJCSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-13(14-8-4-2-5-9-14)12-17(24,18(19,20)21)16(23)22-15-10-6-3-7-11-15/h2-11,13,24H,12H2,1H3,(H,22,23).
What are the key properties of 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide?
2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide has a molecular weight of 337.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 174555977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).