4-[(4-cyanophenyl)methyl]benzamide

C15H12N2O — CID 15363357

IUPAC4-[(4-cyanophenyl)methyl]benzamide
SMILESN#Cc1ccc(Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H12N2O/c16-10-13-3-1-11(2-4-13)9-12-5-7-14(8-6-12)15(17)18/h1-8H,9H2,(H2,17,18)
InChIKeyOGEXNJLFCODVRE-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.25
Rot. Bonds3

About 4-[(4-cyanophenyl)methyl]benzamide

4-[(4-cyanophenyl)methyl]benzamide (PubChem CID 15363357) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl]benzamide
PubChem CID15363357
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-[(4-cyanophenyl)methyl]benzamide
SMILESN#Cc1ccc(Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H12N2O/c16-10-13-3-1-11(2-4-13)9-12-5-7-14(8-6-12)15(17)18/h1-8H,9H2,(H2,17,18)
InChIKeyOGEXNJLFCODVRE-UHFFFAOYSA-N
XLogP2.25
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl]benzamide?
The IUPAC name of 4-[(4-cyanophenyl)methyl]benzamide (CID 15363357) is 4-[(4-cyanophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-cyanophenyl)methyl]benzamide is N#Cc1ccc(Cc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)methyl]benzamide?
The InChIKey is OGEXNJLFCODVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-10-13-3-1-11(2-4-13)9-12-5-7-14(8-6-12)15(17)18/h1-8H,9H2,(H2,17,18).
What are the key properties of 4-[(4-cyanophenyl)methyl]benzamide?
4-[(4-cyanophenyl)methyl]benzamide has a molecular weight of 236.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl]benzamide is sourced from PubChem (CID 15363357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).