N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide

C12H14FNO2 — CID 171905656

IUPACN-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide
SMILESCc1cc(O)cc(F)c1C(=O)NC1CCC1
InChIInChI=1S/C12H14FNO2/c1-7-5-9(15)6-10(13)11(7)12(16)14-8-3-2-4-8/h5-6,8,15H,2-4H2,1H3,(H,14,16)
InChIKeyHWCVPMFMQXFEOB-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.12
Rot. Bonds2

About N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide

N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide (PubChem CID 171905656) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide
PubChem CID171905656
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide
SMILESCc1cc(O)cc(F)c1C(=O)NC1CCC1
InChIInChI=1S/C12H14FNO2/c1-7-5-9(15)6-10(13)11(7)12(16)14-8-3-2-4-8/h5-6,8,15H,2-4H2,1H3,(H,14,16)
InChIKeyHWCVPMFMQXFEOB-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-cyclopentyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905657
N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
CID 171906052
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365215
azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone
CID 171905666
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide
CID 65100669
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide?
The IUPAC name of N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide (CID 171905656) is N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide?
The canonical SMILES for N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide is Cc1cc(O)cc(F)c1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide?
The InChIKey is HWCVPMFMQXFEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7-5-9(15)6-10(13)11(7)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-4-hydroxy-6-methylbenzamide?
N-cyclobutyl-2-fluoro-4-hydroxy-6-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-4-hydroxy-6-methylbenzamide is sourced from PubChem (CID 171905656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).