2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile

C16H15ClN2O2 — CID 107926886

IUPAC2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
SMILESCOc1cc(OC)c(Nc2ccc(C)cc2C#N)cc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-10-4-5-13(11(6-10)9-18)19-14-7-12(17)15(20-2)8-16(14)21-3/h4-8,19H,1-3H3
InChIKeyJCPOYFSHBAOECT-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.28
Rot. Bonds4

About 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile

2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile (PubChem CID 107926886) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
PubChem CID107926886
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
SMILESCOc1cc(OC)c(Nc2ccc(C)cc2C#N)cc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-10-4-5-13(11(6-10)9-18)19-14-7-12(17)15(20-2)8-16(14)21-3/h4-8,19H,1-3H3
InChIKeyJCPOYFSHBAOECT-UHFFFAOYSA-N
XLogP4.28
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
CID 107927968
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile
CID 28550578
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107927942
N-(2-chlorophenyl)-2-methoxy-4-methylaniline
CID 142713030
1-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43343044
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114765705
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
CID 55231919

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile (CID 107926886) is 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile is COc1cc(OC)c(Nc2ccc(C)cc2C#N)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile?
The InChIKey is JCPOYFSHBAOECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-4-5-13(11(6-10)9-18)19-14-7-12(17)15(20-2)8-16(14)21-3/h4-8,19H,1-3H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile?
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile has a molecular weight of 302.76 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile is sourced from PubChem (CID 107926886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).