2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

C14H20FNO3 — CID 104920591

IUPAC2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,7-4-8-17)9-16-13(19)12-10(15)5-3-6-11(12)18/h3,5-6,17-18H,4,7-9H2,1-2H3,(H,16,19)
InChIKeyXQIZNNYMCZHPSY-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.06
Rot. Bonds6

About 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (PubChem CID 104920591) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
PubChem CID104920591
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,7-4-8-17)9-16-13(19)12-10(15)5-3-6-11(12)18/h3,5-6,17-18H,4,7-9H2,1-2H3,(H,16,19)
InChIKeyXQIZNNYMCZHPSY-UHFFFAOYSA-N
XLogP2.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
CID 103899589
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899579
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (CID 104920591) is 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide is CC(C)(CCCO)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The InChIKey is XQIZNNYMCZHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,7-4-8-17)9-16-13(19)12-10(15)5-3-6-11(12)18/h3,5-6,17-18H,4,7-9H2,1-2H3,(H,16,19).
What are the key properties of 2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 2.06, 6 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-(5-hydroxy-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 104920591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).