N-(4-cyanophenyl)-N,2-dimethylbenzamide

C16H14N2O — CID 62982757

IUPACN-(4-cyanophenyl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O/c1-12-5-3-4-6-15(12)16(19)18(2)14-9-7-13(11-17)8-10-14/h3-10H,1-2H3
InChIKeyCVZCKGSJOIYGBK-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.14
Rot. Bonds2

About N-(4-cyanophenyl)-N,2-dimethylbenzamide

N-(4-cyanophenyl)-N,2-dimethylbenzamide (PubChem CID 62982757) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N,2-dimethylbenzamide
PubChem CID62982757
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(4-cyanophenyl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O/c1-12-5-3-4-6-15(12)16(19)18(2)14-9-7-13(11-17)8-10-14/h3-10H,1-2H3
InChIKeyCVZCKGSJOIYGBK-UHFFFAOYSA-N
XLogP3.14
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide
CID 76979478
N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide
CID 62969603
N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
CID 151032584
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
CID 55141574
4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N,2-dimethylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-N,2-dimethylbenzamide (CID 62982757) is N-(4-cyanophenyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N,2-dimethylbenzamide?
The InChIKey is CVZCKGSJOIYGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-5-3-4-6-15(12)16(19)18(2)14-9-7-13(11-17)8-10-14/h3-10H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N,2-dimethylbenzamide?
N-(4-cyanophenyl)-N,2-dimethylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 62982757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).