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

C17H16N2O — CID 62982931

IUPACN-(4-cyanophenyl)-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C17H16N2O/c1-12-4-9-16(13(2)10-12)17(20)19(3)15-7-5-14(11-18)6-8-15/h4-10H,1-3H3
InChIKeyCFRLIXZBQFWGOT-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds2

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

N-(4-cyanophenyl)-N,2,4-trimethylbenzamide (PubChem CID 62982931) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N,2,4-trimethylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N,2,4-trimethylbenzamide
PubChem CID62982931
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(4-cyanophenyl)-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C17H16N2O/c1-12-4-9-16(13(2)10-12)17(20)19(3)15-7-5-14(11-18)6-8-15/h4-10H,1-3H3
InChIKeyCFRLIXZBQFWGOT-UHFFFAOYSA-N
XLogP3.45
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
4-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62982219
4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
N-(4-cyanophenyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62981903
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62980842
5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
CID 62983322
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
CID 55141574
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N,2,4-trimethylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-N,2,4-trimethylbenzamide (CID 62982931) is N-(4-cyanophenyl)-N,2,4-trimethylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-N,2,4-trimethylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-N,2,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c(C)c1.
What is the InChIKey of N-(4-cyanophenyl)-N,2,4-trimethylbenzamide?
The InChIKey is CFRLIXZBQFWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-4-9-16(13(2)10-12)17(20)19(3)15-7-5-14(11-18)6-8-15/h4-10H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-N,2,4-trimethylbenzamide?
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 3.45, 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,2,4-trimethylbenzamide is sourced from PubChem (CID 62982931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).