4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide

C17H11N3O2 — CID 10859192

IUPAC4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
SMILESN#Cc1ccc(C(=O)CNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H11N3O2/c18-9-12-1-5-14(6-2-12)16(21)11-20-17(22)15-7-3-13(10-19)4-8-15/h1-8H,11H2,(H,20,22)
InChIKeyIAJPZDFUOZEKOX-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.04
Rot. Bonds4

About 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide

4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide (PubChem CID 10859192) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
PubChem CID10859192
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
SMILESN#Cc1ccc(C(=O)CNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H11N3O2/c18-9-12-1-5-14(6-2-12)16(21)11-20-17(22)15-7-3-13(10-19)4-8-15/h1-8H,11H2,(H,20,22)
InChIKeyIAJPZDFUOZEKOX-UHFFFAOYSA-N
XLogP2.04
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide (CID 10859192) is 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide is N#Cc1ccc(C(=O)CNC(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide?
The InChIKey is IAJPZDFUOZEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c18-9-12-1-5-14(6-2-12)16(21)11-20-17(22)15-7-3-13(10-19)4-8-15/h1-8H,11H2,(H,20,22).
What are the key properties of 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide?
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide has a molecular weight of 289.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 10859192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).