3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide

C14H12FNO3 — CID 43326327

IUPAC3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccccc2O)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-11-7-9(14(16)18)5-6-10(11)8-19-13-4-2-1-3-12(13)17/h1-7,17H,8H2,(H2,16,18)
InChIKeyACERLMHOBSZZKR-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds4

About 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide

3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide (PubChem CID 43326327) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
PubChem CID43326327
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccccc2O)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-11-7-9(14(16)18)5-6-10(11)8-19-13-4-2-1-3-12(13)17/h1-7,17H,8H2,(H2,16,18)
InChIKeyACERLMHOBSZZKR-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-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
CID 106484635
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
CID 103009131
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
3-fluoro-4-[(2-methylsulfanylphenoxy)methyl]benzenecarbothioamide
CID 63647473
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide (CID 43326327) is 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide is NC(=O)c1ccc(COc2ccccc2O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide?
The InChIKey is ACERLMHOBSZZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-7-9(14(16)18)5-6-10(11)8-19-13-4-2-1-3-12(13)17/h1-7,17H,8H2,(H2,16,18).
What are the key properties of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide?
3-fluoro-4-[(2-hydroxyphenoxy)methyl]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-[(2-hydroxyphenoxy)methyl]benzamide is sourced from PubChem (CID 43326327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).