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

C12H14FNO2 — CID 66005334

IUPAC3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-2-9(6-10)12(16)14-7-8-4-11(15)5-8/h1-3,6,8,11,15H,4-5,7H2,(H,14,16)
InChIKeyUGFAERJSESBCSS-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.33
Rot. Bonds3

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

3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (PubChem CID 66005334) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
PubChem CID66005334
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-2-9(6-10)12(16)14-7-8-4-11(15)5-8/h1-3,6,8,11,15H,4-5,7H2,(H,14,16)
InChIKeyUGFAERJSESBCSS-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

4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide
CID 166384043
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
3-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63007971
3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide
CID 163789284
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
CID 77111150
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide (CID 66005334) is 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1CC(O)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is UGFAERJSESBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-2-9(6-10)12(16)14-7-8-4-11(15)5-8/h1-3,6,8,11,15H,4-5,7H2,(H,14,16).
What are the key properties of 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
3-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 3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 66005334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).