4-(4-cyanophenyl)-N-methylbenzamide

C15H12N2O — CID 130318851

IUPAC4-(4-cyanophenyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H12N2O/c1-17-15(18)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-9H,1H3,(H,17,18)
InChIKeyYGSYPJFUGNZOEG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.58
Rot. Bonds2

About 4-(4-cyanophenyl)-N-methylbenzamide

4-(4-cyanophenyl)-N-methylbenzamide (PubChem CID 130318851) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-methylbenzamide
PubChem CID130318851
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-(4-cyanophenyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H12N2O/c1-17-15(18)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-9H,1H3,(H,17,18)
InChIKeyYGSYPJFUGNZOEG-UHFFFAOYSA-N
XLogP2.58
TPSA52.89 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
4-cyano-N-methylsulfonylbenzamide
CID 47232721
4-(3-cyanoprop-1-ynyl)-N-methylbenzamide
CID 170475275
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
4-ethynyl-N-methylbenzamide
CID 14596430
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
4-cyanobenzoyl bromide
CID 22321969
ethane;4-ethynyl-N-methylbenzamide
CID 178156727
N-methyl-4-prop-1-ynylbenzamide
CID 126551972
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 4-(4-cyanophenyl)-N-methylbenzamide (CID 130318851) is 4-(4-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-methylbenzamide?
The InChIKey is YGSYPJFUGNZOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-15(18)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-9H,1H3,(H,17,18).
What are the key properties of 4-(4-cyanophenyl)-N-methylbenzamide?
4-(4-cyanophenyl)-N-methylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 130318851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).