4-(3-chloro-4-methylanilino)-3-methylbenzonitrile

C15H13ClN2 — CID 55195164

IUPAC4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(C#N)cc2C)cc1Cl
InChIInChI=1S/C15H13ClN2/c1-10-3-5-13(8-14(10)16)18-15-6-4-12(9-17)7-11(15)2/h3-8,18H,1-2H3
InChIKeyCPUZVKHQEDQXCX-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.57
Rot. Bonds2

About 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile

4-(3-chloro-4-methylanilino)-3-methylbenzonitrile (PubChem CID 55195164) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
PubChem CID55195164
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(C#N)cc2C)cc1Cl
InChIInChI=1S/C15H13ClN2/c1-10-3-5-13(8-14(10)16)18-15-6-4-12(9-17)7-11(15)2/h3-8,18H,1-2H3
InChIKeyCPUZVKHQEDQXCX-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoroanilino)-3-methylbenzonitrile
CID 54933992
3-methyl-4-(3-methylanilino)benzonitrile
CID 54934182
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
4-(2,4-dimethylanilino)benzonitrile
CID 29269980
3-chloro-4-(4-methyl-3-nitroanilino)benzonitrile
CID 63089030
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
3-methyl-4-(methylamino)benzonitrile
CID 23343732
4-(4-cyanoanilino)-3-methylbenzoic acid
CID 63212717
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile?
The IUPAC name of 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile (CID 55195164) is 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile.
What is the SMILES notation for 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile?
The canonical SMILES for 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile is Cc1ccc(Nc2ccc(C#N)cc2C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile?
The InChIKey is CPUZVKHQEDQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-10-3-5-13(8-14(10)16)18-15-6-4-12(9-17)7-11(15)2/h3-8,18H,1-2H3.
What are the key properties of 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile?
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile has a molecular weight of 256.74 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylanilino)-3-methylbenzonitrile is sourced from PubChem (CID 55195164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).