2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

C14H19F2NO2 — CID 103824976

IUPAC2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H19F2NO2/c1-14(2,6-7-18)9-17-12(19)8-10-4-3-5-11(15)13(10)16/h3-5,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyUCKLNLRUTPEFNI-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.03
Rot. Bonds6

About 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (PubChem CID 103824976) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
PubChem CID103824976
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H19F2NO2/c1-14(2,6-7-18)9-17-12(19)8-10-4-3-5-11(15)13(10)16/h3-5,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyUCKLNLRUTPEFNI-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
CID 106144164
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide
CID 103772553
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487486
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469141
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106145428
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (CID 103824976) is 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is CC(C)(CCO)CNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The InChIKey is UCKLNLRUTPEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-14(2,6-7-18)9-17-12(19)8-10-4-3-5-11(15)13(10)16/h3-5,18H,6-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide has a molecular weight of 271.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 103824976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).