N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide

C17H16N2O — CID 47475875

IUPACN-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H16N2O/c1-11-5-4-6-15(13(11)3)17(20)19-16-9-14(10-18)8-7-12(16)2/h4-9H,1-3H3,(H,19,20)
InChIKeyVHZLTYUJCWPUSY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.74
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide

N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide (PubChem CID 47475875) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
PubChem CID47475875
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H16N2O/c1-11-5-4-6-15(13(11)3)17(20)19-16-9-14(10-18)8-7-12(16)2/h4-9H,1-3H3,(H,19,20)
InChIKeyVHZLTYUJCWPUSY-UHFFFAOYSA-N
XLogP3.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
CID 78981326
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
N-(5-cyano-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 62060853
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide (CID 47475875) is N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide is Cc1ccc(C#N)cc1NC(=O)c1cccc(C)c1C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide?
The InChIKey is VHZLTYUJCWPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-5-4-6-15(13(11)3)17(20)19-16-9-14(10-18)8-7-12(16)2/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide?
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 47475875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).