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

C14H12FNO3 — CID 43326289

IUPAC4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(COc2ccc(O)cc2)c1
InChIInChI=1S/C14H12FNO3/c15-13-6-1-9(14(16)18)7-10(13)8-19-12-4-2-11(17)3-5-12/h1-7,17H,8H2,(H2,16,18)
InChIKeyKYQHERIQYRQGHM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds4

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

4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide (PubChem CID 43326289) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
PubChem CID43326289
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(COc2ccc(O)cc2)c1
InChIInChI=1S/C14H12FNO3/c15-13-6-1-9(14(16)18)7-10(13)8-19-12-4-2-11(17)3-5-12/h1-7,17H,8H2,(H2,16,18)
InChIKeyKYQHERIQYRQGHM-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-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
5-[(5-carbamoyl-2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63851699
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 107458202
3-[(4-bromo-3-fluorophenoxy)methyl]-4-fluorobenzoic acid
CID 65202713

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide (CID 43326289) is 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide is NC(=O)c1ccc(F)c(COc2ccc(O)cc2)c1.
What is the InChIKey of 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide?
The InChIKey is KYQHERIQYRQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-13-6-1-9(14(16)18)7-10(13)8-19-12-4-2-11(17)3-5-12/h1-7,17H,8H2,(H2,16,18).
What are the key properties of 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide?
4-fluoro-3-[(4-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 4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide is sourced from PubChem (CID 43326289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).