3-fluoro-4-(4-formylphenoxy)benzamide

C14H10FNO3 — CID 57352536

IUPAC3-fluoro-4-(4-formylphenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C=O)cc2)c(F)c1
InChIInChI=1S/C14H10FNO3/c15-12-7-10(14(16)18)3-6-13(12)19-11-4-1-9(8-17)2-5-11/h1-8H,(H2,16,18)
InChIKeyNLRZKJKUWXRXFY-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.53
Rot. Bonds4

About 3-fluoro-4-(4-formylphenoxy)benzamide

3-fluoro-4-(4-formylphenoxy)benzamide (PubChem CID 57352536) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-fluoro-4-(4-formylphenoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(4-formylphenoxy)benzamide
PubChem CID57352536
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name3-fluoro-4-(4-formylphenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C=O)cc2)c(F)c1
InChIInChI=1S/C14H10FNO3/c15-12-7-10(14(16)18)3-6-13(12)19-11-4-1-9(8-17)2-5-11/h1-8H,(H2,16,18)
InChIKeyNLRZKJKUWXRXFY-UHFFFAOYSA-N
XLogP2.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
3,5-difluoro-4-(4-formylphenoxy)benzamide
CID 59730109
3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
CID 146305959
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
3-fluoro-4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 158189564
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
4-(4-cyano-2-fluorophenoxy)benzamide
CID 43657479
3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
CID 79869376
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide
CID 59729908
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-formylphenoxy)benzamide?
The IUPAC name of 3-fluoro-4-(4-formylphenoxy)benzamide (CID 57352536) is 3-fluoro-4-(4-formylphenoxy)benzamide.
What is the SMILES notation for 3-fluoro-4-(4-formylphenoxy)benzamide?
The canonical SMILES for 3-fluoro-4-(4-formylphenoxy)benzamide is NC(=O)c1ccc(Oc2ccc(C=O)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-formylphenoxy)benzamide?
The InChIKey is NLRZKJKUWXRXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-12-7-10(14(16)18)3-6-13(12)19-11-4-1-9(8-17)2-5-11/h1-8H,(H2,16,18).
What are the key properties of 3-fluoro-4-(4-formylphenoxy)benzamide?
3-fluoro-4-(4-formylphenoxy)benzamide has a molecular weight of 259.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-formylphenoxy)benzamide is sourced from PubChem (CID 57352536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).