4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide

C12H14F3NO2 — CID 79192569

IUPAC4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)CCCO
InChIInChI=1S/C12H14F3NO2/c1-8-4-5-9(12(13,14)15)7-10(8)16-11(18)3-2-6-17/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyHGRXZEIAEUYXNX-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.72
Rot. Bonds4

About 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide

4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 79192569) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
PubChem CID79192569
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)CCCO
InChIInChI=1S/C12H14F3NO2/c1-8-4-5-9(12(13,14)15)7-10(8)16-11(18)3-2-6-17/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyHGRXZEIAEUYXNX-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
methyl 3-(4-hydroxybutanoylamino)-4-methylbenzoate
CID 79204686
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107031876
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566330
3-[methyl-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 66477759
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119775808

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide (CID 79192569) is 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide is Cc1ccc(C(F)(F)F)cc1NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HGRXZEIAEUYXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8-4-5-9(12(13,14)15)7-10(8)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-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 261.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 79192569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).