2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

C15H21F2NO2 — CID 106353084

IUPAC2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-15(2,3)13(6-7-19)18-14(20)9-10-4-5-11(16)12(17)8-10/h4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyDKEBDSCFMCVZIU-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.42
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 106353084) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID106353084
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-15(2,3)13(6-7-19)18-14(20)9-10-4-5-11(16)12(17)8-10/h4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyDKEBDSCFMCVZIU-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
CID 47815623
N-(1-bromo-3-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114316159
2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782223
2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-sulfanylbenzamide
CID 106357978
3,4-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 75431301
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 106356267

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 106353084) is 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is CC(C)(C)C(CCO)NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is DKEBDSCFMCVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-15(2,3)13(6-7-19)18-14(20)9-10-4-5-11(16)12(17)8-10/h4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide has a molecular weight of 285.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 106353084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).