4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide

C12H14FNO2 — CID 66006045

IUPAC4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(16)14-7-8-5-11(15)6-8/h1-4,8,11,15H,5-7H2,(H,14,16)
InChIKeyJITLIGBDOJIBEJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.33
Rot. Bonds3

About 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide

4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (PubChem CID 66006045) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
PubChem CID66006045
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(16)14-7-8-5-11(15)6-8/h1-4,8,11,15H,5-7H2,(H,14,16)
InChIKeyJITLIGBDOJIBEJ-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255
N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide
CID 71090797
N-[2-[(3-hydroxycyclobutyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 66005606
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (CID 66006045) is 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1CC(O)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is JITLIGBDOJIBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(16)14-7-8-5-11(15)6-8/h1-4,8,11,15H,5-7H2,(H,14,16).
What are the key properties of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 223.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 66006045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).