3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide

C16H14N2O2 — CID 110605229

IUPAC3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2ccccc2O)c1
InChIInChI=1S/C16H14N2O2/c17-11-12-4-3-6-14(10-12)16(20)18-9-8-13-5-1-2-7-15(13)19/h1-7,10,19H,8-9H2,(H,18,20)
InChIKeyBEAAGCOVZIQGAL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds4

About 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide

3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide (PubChem CID 110605229) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
PubChem CID110605229
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2ccccc2O)c1
InChIInChI=1S/C16H14N2O2/c17-11-12-4-3-6-14(10-12)16(20)18-9-8-13-5-1-2-7-15(13)19/h1-7,10,19H,8-9H2,(H,18,20)
InChIKeyBEAAGCOVZIQGAL-UHFFFAOYSA-N
XLogP2.24
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-cyano-N-(3-oxopropyl)benzamide
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CID 109055476
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
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3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791169
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide (CID 110605229) is 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2ccccc2O)c1.
What is the InChIKey of 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide?
The InChIKey is BEAAGCOVZIQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-11-12-4-3-6-14(10-12)16(20)18-9-8-13-5-1-2-7-15(13)19/h1-7,10,19H,8-9H2,(H,18,20).
What are the key properties of 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide?
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 110605229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).