3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide

C11H13F2NO2 — CID 154754567

IUPAC3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide
SMILESCc1cccc(O)c1NC(=O)CC(C)(F)F
InChIInChI=1S/C11H13F2NO2/c1-7-4-3-5-8(15)10(7)14-9(16)6-11(2,12)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyWSCAPTDNGJPSGS-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.68
Rot. Bonds3

About 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide

3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide (PubChem CID 154754567) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide
PubChem CID154754567
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide
SMILESCc1cccc(O)c1NC(=O)CC(C)(F)F
InChIInChI=1S/C11H13F2NO2/c1-7-4-3-5-8(15)10(7)14-9(16)6-11(2,12)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyWSCAPTDNGJPSGS-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-N-phenylbutanamide
CID 131059355
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide
CID 110009743
2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide
CID 23405277
N-(2-hydroxy-6-methylphenyl)prop-2-ynamide
CID 130610488
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
CID 113199088
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
3,3-dimethyl-N-[2-methyl-6-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]phenyl]butanamide
CID 71513515
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide?
The IUPAC name of 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide (CID 154754567) is 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide.
What is the SMILES notation for 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide?
The canonical SMILES for 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide is Cc1cccc(O)c1NC(=O)CC(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide?
The InChIKey is WSCAPTDNGJPSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7-4-3-5-8(15)10(7)14-9(16)6-11(2,12)13/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide?
3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide has a molecular weight of 229.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide is sourced from PubChem (CID 154754567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).