3,5-difluoro-4-(4-formylphenoxy)benzamide

C14H9F2NO3 — CID 59730109

IUPAC3,5-difluoro-4-(4-formylphenoxy)benzamide
SMILESNC(=O)c1cc(F)c(Oc2ccc(C=O)cc2)c(F)c1
InChIInChI=1S/C14H9F2NO3/c15-11-5-9(14(17)19)6-12(16)13(11)20-10-3-1-8(7-18)2-4-10/h1-7H,(H2,17,19)
InChIKeyRNXBSOXPXOMRIV-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.67
Rot. Bonds4

About 3,5-difluoro-4-(4-formylphenoxy)benzamide

3,5-difluoro-4-(4-formylphenoxy)benzamide (PubChem CID 59730109) has the molecular formula C14H9F2NO3 and a molecular weight of 277.23 g/mol. Its IUPAC name is 3,5-difluoro-4-(4-formylphenoxy)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(4-formylphenoxy)benzamide
PubChem CID59730109
Molecular FormulaC14H9F2NO3
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name3,5-difluoro-4-(4-formylphenoxy)benzamide
SMILESNC(=O)c1cc(F)c(Oc2ccc(C=O)cc2)c(F)c1
InChIInChI=1S/C14H9F2NO3/c15-11-5-9(14(17)19)6-12(16)13(11)20-10-3-1-8(7-18)2-4-10/h1-7H,(H2,17,19)
InChIKeyRNXBSOXPXOMRIV-UHFFFAOYSA-N
XLogP2.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.67
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-formylphenoxy)benzamide
CID 57352536
4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide
CID 87305236
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
4-formylbenzamide;methanamine
CID 144619239
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-(4-fluorophenoxy)benzamide
CID 22142233
4-(4-carbamoylphenoxy)benzamide
CID 156597124
3,5-difluoro-4-(4-propan-2-ylphenoxy)benzoic acid
CID 63460686

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(4-formylphenoxy)benzamide?
The IUPAC name of 3,5-difluoro-4-(4-formylphenoxy)benzamide (CID 59730109) is 3,5-difluoro-4-(4-formylphenoxy)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(4-formylphenoxy)benzamide?
The canonical SMILES for 3,5-difluoro-4-(4-formylphenoxy)benzamide is NC(=O)c1cc(F)c(Oc2ccc(C=O)cc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(4-formylphenoxy)benzamide?
The InChIKey is RNXBSOXPXOMRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3/c15-11-5-9(14(17)19)6-12(16)13(11)20-10-3-1-8(7-18)2-4-10/h1-7H,(H2,17,19).
What are the key properties of 3,5-difluoro-4-(4-formylphenoxy)benzamide?
3,5-difluoro-4-(4-formylphenoxy)benzamide has a molecular weight of 277.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(4-formylphenoxy)benzamide is sourced from PubChem (CID 59730109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).