N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

C15H14F9NO2 — CID 91341594

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCC(C)CC(O)(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C15H14F9NO2/c1-7(2)6-12(27,15(22,23)24)11(26)25-10-4-8(13(16,17)18)3-9(5-10)14(19,20)21/h3-5,7,27H,6H2,1-2H3,(H,25,26)
InChIKeyXZYAONAXIKJLDA-UHFFFAOYSA-N
MW411.26 g/mol
LogP5.00
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (PubChem CID 91341594) has the molecular formula C15H14F9NO2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
PubChem CID91341594
Molecular FormulaC15H14F9NO2
Molecular Weight411.26 g/mol
Exact Mass411.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCC(C)CC(O)(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C15H14F9NO2/c1-7(2)6-12(27,15(22,23)24)11(26)25-10-4-8(13(16,17)18)3-9(5-10)14(19,20)21/h3-5,7,27H,6H2,1-2H3,(H,25,26)
InChIKeyXZYAONAXIKJLDA-UHFFFAOYSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.26
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutanamide
CID 58825547
N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 10052412
tris[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]ethyl]-methylphosphanium
CID 171057100
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
1-[3,5-bis(trifluoromethyl)phenyl]-3-pentan-3-ylurea
CID 108888360
(2S)-2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 65491406
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33163919
N-[3,5-bis(trifluoromethyl)phenyl]-2-(methyldisulfanyl)acetamide
CID 141085999
3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 127585442
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (CID 91341594) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is CC(C)CC(O)(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The InChIKey is XZYAONAXIKJLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F9NO2/c1-7(2)6-12(27,15(22,23)24)11(26)25-10-4-8(13(16,17)18)3-9(5-10)14(19,20)21/h3-5,7,27H,6H2,1-2H3,(H,25,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide has a molecular weight of 411.26 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 91341594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).