2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

C14H20FNO3 — CID 104929813

IUPAC2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,3)7-10(18)8-16-13(19)11-5-4-9(17)6-12(11)15/h4-6,10,17-18H,7-8H2,1-3H3,(H,16,19)
InChIKeyILSAIDAXPOSIBG-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.06
Rot. Bonds4

About 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (PubChem CID 104929813) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
PubChem CID104929813
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,3)7-10(18)8-16-13(19)11-5-4-9(17)6-12(11)15/h4-6,10,17-18H,7-8H2,1-3H3,(H,16,19)
InChIKeyILSAIDAXPOSIBG-UHFFFAOYSA-N
XLogP2.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 103830009
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677727
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
CID 107156635
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
CID 106141044
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (CID 104929813) is 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is CC(C)(C)CC(O)CNC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The InChIKey is ILSAIDAXPOSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)7-10(18)8-16-13(19)11-5-4-9(17)6-12(11)15/h4-6,10,17-18H,7-8H2,1-3H3,(H,16,19).
What are the key properties of 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 104929813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).