3-(4-cyanophenyl)-4-methylbenzamide

C15H12N2O — CID 154460991

IUPAC3-(4-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C15H12N2O/c1-10-2-5-13(15(17)18)8-14(10)12-6-3-11(9-16)4-7-12/h2-8H,1H3,(H2,17,18)
InChIKeyAMDGAOHTBXEMCP-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.63
Rot. Bonds2

About 3-(4-cyanophenyl)-4-methylbenzamide

3-(4-cyanophenyl)-4-methylbenzamide (PubChem CID 154460991) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-4-methylbenzamide
PubChem CID154460991
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(4-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C15H12N2O/c1-10-2-5-13(15(17)18)8-14(10)12-6-3-11(9-16)4-7-12/h2-8H,1H3,(H2,17,18)
InChIKeyAMDGAOHTBXEMCP-UHFFFAOYSA-N
XLogP2.63
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-4-methylbenzamide?
The IUPAC name of 3-(4-cyanophenyl)-4-methylbenzamide (CID 154460991) is 3-(4-cyanophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(4-cyanophenyl)-4-methylbenzamide?
The canonical SMILES for 3-(4-cyanophenyl)-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-4-methylbenzamide?
The InChIKey is AMDGAOHTBXEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-2-5-13(15(17)18)8-14(10)12-6-3-11(9-16)4-7-12/h2-8H,1H3,(H2,17,18).
What are the key properties of 3-(4-cyanophenyl)-4-methylbenzamide?
3-(4-cyanophenyl)-4-methylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-4-methylbenzamide is sourced from PubChem (CID 154460991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).