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

C13H16FNO3 — CID 104956514

IUPAC2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO3/c1-13(2)9(6-10(13)17)15-12(18)11-7(14)4-3-5-8(11)16/h3-5,9-10,16-17H,6H2,1-2H3,(H,15,18)
InChIKeyVBCYYLLTOMTUIK-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.42
Rot. Bonds2

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

2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 104956514) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID104956514
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO3/c1-13(2)9(6-10(13)17)15-12(18)11-7(14)4-3-5-8(11)16/h3-5,9-10,16-17H,6H2,1-2H3,(H,15,18)
InChIKeyVBCYYLLTOMTUIK-UHFFFAOYSA-N
XLogP1.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252929
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628200
3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628218
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxybenzamide
CID 114630957
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide
CID 103733928
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (CID 104956514) is 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is CC1(C)C(O)CC1NC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is VBCYYLLTOMTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-13(2)9(6-10(13)17)15-12(18)11-7(14)4-3-5-8(11)16/h3-5,9-10,16-17H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.42, 2 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-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 104956514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).