2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide

C15H11FN2O2 — CID 69346358

IUPAC2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide
SMILESN#Cc1ccc(Cc2cc(F)ccc2C(N)=O)c(O)c1
InChIInChI=1S/C15H11FN2O2/c16-12-3-4-13(15(18)20)11(7-12)6-10-2-1-9(8-17)5-14(10)19/h1-5,7,19H,6H2,(H2,18,20)
InChIKeyCIWDVHFOIFJLKM-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.09
Rot. Bonds3

About 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide

2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide (PubChem CID 69346358) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide
PubChem CID69346358
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide
SMILESN#Cc1ccc(Cc2cc(F)ccc2C(N)=O)c(O)c1
InChIInChI=1S/C15H11FN2O2/c16-12-3-4-13(15(18)20)11(7-12)6-10-2-1-9(8-17)5-14(10)19/h1-5,7,19H,6H2,(H2,18,20)
InChIKeyCIWDVHFOIFJLKM-UHFFFAOYSA-N
XLogP2.09
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide (CID 69346358) is 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide is N#Cc1ccc(Cc2cc(F)ccc2C(N)=O)c(O)c1.
What is the InChIKey of 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide?
The InChIKey is CIWDVHFOIFJLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-3-4-13(15(18)20)11(7-12)6-10-2-1-9(8-17)5-14(10)19/h1-5,7,19H,6H2,(H2,18,20).
What are the key properties of 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide?
2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide has a molecular weight of 270.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 69346358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).