2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

C12H16FNO3 — CID 100615294

IUPAC2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,7-15)6-14-11(17)10-8(13)4-3-5-9(10)16/h3-5,15-16H,6-7H2,1-2H3,(H,14,17)
InChIKeyQMJZLZFLOUFPJL-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.28
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (PubChem CID 100615294) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
PubChem CID100615294
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,7-15)6-14-11(17)10-8(13)4-3-5-9(10)16/h3-5,15-16H,6-7H2,1-2H3,(H,14,17)
InChIKeyQMJZLZFLOUFPJL-UHFFFAOYSA-N
XLogP1.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
CID 107690124
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016993
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (CID 100615294) is 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is CC(C)(CO)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The InChIKey is QMJZLZFLOUFPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,7-15)6-14-11(17)10-8(13)4-3-5-9(10)16/h3-5,15-16H,6-7H2,1-2H3,(H,14,17).
What are the key properties of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide has a molecular weight of 241.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 100615294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).