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

C14H20FNO2 — CID 104917625

IUPAC2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1c(O)cccc1F)C(C)(C)C
InChIInChI=1S/C14H20FNO2/c1-9(14(2,3)4)8-16-13(18)12-10(15)6-5-7-11(12)17/h5-7,9,17H,8H2,1-4H3,(H,16,18)
InChIKeyUPJQAXTVSCQTGG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.94
Rot. Bonds3

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

2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 104917625) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID104917625
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1c(O)cccc1F)C(C)(C)C
InChIInChI=1S/C14H20FNO2/c1-9(14(2,3)4)8-16-13(18)12-10(15)6-5-7-11(12)17/h5-7,9,17H,8H2,1-4H3,(H,16,18)
InChIKeyUPJQAXTVSCQTGG-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 113346830
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
N-(2-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107016981
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide (CID 104917625) is 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide is CC(CNC(=O)c1c(O)cccc1F)C(C)(C)C.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is UPJQAXTVSCQTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(14(2,3)4)8-16-13(18)12-10(15)6-5-7-11(12)17/h5-7,9,17H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 253.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 104917625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).