4-[(3-cyano-4-fluorophenyl)methoxy]benzamide

C15H11FN2O2 — CID 103758758

IUPAC4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
SMILESN#Cc1cc(COc2ccc(C(N)=O)cc2)ccc1F
InChIInChI=1S/C15H11FN2O2/c16-14-6-1-10(7-12(14)8-17)9-20-13-4-2-11(3-5-13)15(18)19/h1-7H,9H2,(H2,18,19)
InChIKeyIHWRUYRXTVILSE-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.38
Rot. Bonds4

About 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide

4-[(3-cyano-4-fluorophenyl)methoxy]benzamide (PubChem CID 103758758) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
PubChem CID103758758
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
SMILESN#Cc1cc(COc2ccc(C(N)=O)cc2)ccc1F
InChIInChI=1S/C15H11FN2O2/c16-14-6-1-10(7-12(14)8-17)9-20-13-4-2-11(3-5-13)15(18)19/h1-7H,9H2,(H2,18,19)
InChIKeyIHWRUYRXTVILSE-UHFFFAOYSA-N
XLogP2.38
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-acetylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758764
methyl 4-[(3-cyano-4-fluorophenyl)methoxy]benzoate
CID 103758781
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile
CID 107882225
3-cyano-4-fluorobenzamide
CID 68505906
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
2-fluoro-5-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]benzonitrile
CID 107882405
2-fluoro-5-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882215
5-[[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107880004
[4-[(3-cyano-4-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 107882715
4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
CID 63999852
(3-cyano-4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 103758706

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide?
The IUPAC name of 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide (CID 103758758) is 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide is N#Cc1cc(COc2ccc(C(N)=O)cc2)ccc1F.
What is the InChIKey of 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide?
The InChIKey is IHWRUYRXTVILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-14-6-1-10(7-12(14)8-17)9-20-13-4-2-11(3-5-13)15(18)19/h1-7H,9H2,(H2,18,19).
What are the key properties of 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide?
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide has a molecular weight of 270.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 103758758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).