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

C12H14FNO2 — CID 66006045

IUPAC4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESC1C(CC1O)CNC(=O)C2=CC=C(C=C2)F
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
MW223.24 g/mol
LogP1.40
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 223.24 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 Weight223.24 g/mol
Exact Mass223.10
IUPAC Name4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESC1C(CC1O)CNC(=O)C2=CC=C(C=C2)F
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
XLogP1.40
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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 C1C(CC1O)CNC(=O)C2=CC=C(C=C2)F.
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 223.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 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).