N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide

C12H14FNO2 — CID 171906052

IUPACN-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CCC2)cc1O
InChIInChI=1S/C12H14FNO2/c1-7-5-10(13)9(6-11(7)15)12(16)14-8-3-2-4-8/h5-6,8,15H,2-4H2,1H3,(H,14,16)
InChIKeyXOSJCSYAQRSNTK-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.12
Rot. Bonds2

About N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide

N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide (PubChem CID 171906052) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
PubChem CID171906052
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CCC2)cc1O
InChIInChI=1S/C12H14FNO2/c1-7-5-10(13)9(6-11(7)15)12(16)14-8-3-2-4-8/h5-6,8,15H,2-4H2,1H3,(H,14,16)
InChIKeyXOSJCSYAQRSNTK-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905656
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
5-amino-N-cyclopentyl-2,4-difluorobenzamide
CID 61091643
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
N-cyclohexyl-3,4-difluoro-2,5-dimethylbenzamide
CID 17067316
N-cyclopentyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905657
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide?
The IUPAC name of N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide (CID 171906052) is N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide?
The canonical SMILES for N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CCC2)cc1O.
What is the InChIKey of N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide?
The InChIKey is XOSJCSYAQRSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7-5-10(13)9(6-11(7)15)12(16)14-8-3-2-4-8/h5-6,8,15H,2-4H2,1H3,(H,14,16).
What are the key properties of N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide?
N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide has a molecular weight of 223.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide is sourced from PubChem (CID 171906052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).