3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide

C14H12FNO3 — CID 79869376

IUPAC3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cccc(CO)c2)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-12-7-10(14(16)18)4-5-13(12)19-11-3-1-2-9(6-11)8-17/h1-7,17H,8H2,(H2,16,18)
InChIKeyUWOIPBHTMLBDMO-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds4

About 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide

3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide (PubChem CID 79869376) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
PubChem CID79869376
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cccc(CO)c2)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-12-7-10(14(16)18)4-5-13(12)19-11-3-1-2-9(6-11)8-17/h1-7,17H,8H2,(H2,16,18)
InChIKeyUWOIPBHTMLBDMO-UHFFFAOYSA-N
XLogP2.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
CID 63183962
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
1-[3-bromo-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanone
CID 62910215
4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide
CID 114906895
2-bromo-3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
CID 107540727
3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide?
The IUPAC name of 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide (CID 79869376) is 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide.
What is the SMILES notation for 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide?
The canonical SMILES for 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide is NC(=O)c1ccc(Oc2cccc(CO)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide?
The InChIKey is UWOIPBHTMLBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-12-7-10(14(16)18)4-5-13(12)19-11-3-1-2-9(6-11)8-17/h1-7,17H,8H2,(H2,16,18).
What are the key properties of 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide?
3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide has a molecular weight of 261.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide is sourced from PubChem (CID 79869376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).