4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide

C13H16FNO2 — CID 115878206

IUPAC4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CO)CCC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-9-7-10(3-4-11(9)14)12(17)15-13(8-16)5-2-6-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyQBYMFNJYAXXBFI-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.78
Rot. Bonds3

About 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide

4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide (PubChem CID 115878206) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
PubChem CID115878206
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CO)CCC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-9-7-10(3-4-11(9)14)12(17)15-13(8-16)5-2-6-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyQBYMFNJYAXXBFI-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-fluoro-3-methylbenzamide
CID 114303948
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide (CID 115878206) is 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide is Cc1cc(C(=O)NC2(CO)CCC2)ccc1F.
What is the InChIKey of 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
The InChIKey is QBYMFNJYAXXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-7-10(3-4-11(9)14)12(17)15-13(8-16)5-2-6-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide has a molecular weight of 237.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide is sourced from PubChem (CID 115878206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).