4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide

C12H14F3NO3 — CID 79200697

IUPAC4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCO)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-19-8-4-5-10(9(7-8)12(13,14)15)16-11(18)3-2-6-17/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyLFPJLKIAQFNBTG-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.42
Rot. Bonds5

About 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide

4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide (PubChem CID 79200697) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
PubChem CID79200697
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCO)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-19-8-4-5-10(9(7-8)12(13,14)15)16-11(18)3-2-6-17/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyLFPJLKIAQFNBTG-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82013444
3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
(E)-4-[4-methoxy-2-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 60940535
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
4-hydroxy-N-(6-methoxynaphthalen-2-yl)butanamide
CID 115162836
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555197
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide (CID 79200697) is 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide is COc1ccc(NC(=O)CCCO)c(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is LFPJLKIAQFNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-19-8-4-5-10(9(7-8)12(13,14)15)16-11(18)3-2-6-17/h4-5,7,17H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide?
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 277.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 79200697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).