4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide

C14H12FNO3 — CID 43313468

IUPAC4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(F)cc2CO)cc1
InChIInChI=1S/C14H12FNO3/c15-11-3-6-13(10(7-11)8-17)19-12-4-1-9(2-5-12)14(16)18/h1-7,17H,8H2,(H2,16,18)
InChIKeyOSSSTWUDJLMJTC-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds4

About 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide

4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide (PubChem CID 43313468) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide
PubChem CID43313468
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(F)cc2CO)cc1
InChIInChI=1S/C14H12FNO3/c15-11-3-6-13(10(7-11)8-17)19-12-4-1-9(2-5-12)14(16)18/h1-7,17H,8H2,(H2,16,18)
InChIKeyOSSSTWUDJLMJTC-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

4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
4-(4-fluorophenoxy)benzamide
CID 22142233
[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol
CID 43313473
4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744
4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548854
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid
CID 169219514
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-(4-fluorophenoxy)-3-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide
CID 71283644

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide?
The IUPAC name of 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide (CID 43313468) is 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide?
The canonical SMILES for 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(F)cc2CO)cc1.
What is the InChIKey of 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide?
The InChIKey is OSSSTWUDJLMJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-3-6-13(10(7-11)8-17)19-12-4-1-9(2-5-12)14(16)18/h1-7,17H,8H2,(H2,16,18).
What are the key properties of 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide?
4-[4-fluoro-2-(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 4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide is sourced from PubChem (CID 43313468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).