3-(3-cyano-4-hydroxyphenyl)benzamide

C14H10N2O2 — CID 53219963

IUPAC3-(3-cyano-4-hydroxyphenyl)benzamide
SMILESN#Cc1cc(-c2cccc(C(N)=O)c2)ccc1O
InChIInChI=1S/C14H10N2O2/c15-8-12-7-10(4-5-13(12)17)9-2-1-3-11(6-9)14(16)18/h1-7,17H,(H2,16,18)
InChIKeyVTXHOSFGKWBFNR-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.03
Rot. Bonds2

About 3-(3-cyano-4-hydroxyphenyl)benzamide

3-(3-cyano-4-hydroxyphenyl)benzamide (PubChem CID 53219963) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(3-cyano-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(3-cyano-4-hydroxyphenyl)benzamide
PubChem CID53219963
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-(3-cyano-4-hydroxyphenyl)benzamide
SMILESN#Cc1cc(-c2cccc(C(N)=O)c2)ccc1O
InChIInChI=1S/C14H10N2O2/c15-8-12-7-10(4-5-13(12)17)9-2-1-3-11(6-9)14(16)18/h1-7,17H,(H2,16,18)
InChIKeyVTXHOSFGKWBFNR-UHFFFAOYSA-N
XLogP2.03
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4-hydroxyphenyl)benzamide?
The IUPAC name of 3-(3-cyano-4-hydroxyphenyl)benzamide (CID 53219963) is 3-(3-cyano-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(3-cyano-4-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(3-cyano-4-hydroxyphenyl)benzamide is N#Cc1cc(-c2cccc(C(N)=O)c2)ccc1O.
What is the InChIKey of 3-(3-cyano-4-hydroxyphenyl)benzamide?
The InChIKey is VTXHOSFGKWBFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-8-12-7-10(4-5-13(12)17)9-2-1-3-11(6-9)14(16)18/h1-7,17H,(H2,16,18).
What are the key properties of 3-(3-cyano-4-hydroxyphenyl)benzamide?
3-(3-cyano-4-hydroxyphenyl)benzamide has a molecular weight of 238.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 53219963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).