2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile

C15H13ClN2O — CID 107106329

IUPAC2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
SMILESCOc1ccc(Cl)cc1Nc1c(C)cccc1C#N
InChIInChI=1S/C15H13ClN2O/c1-10-4-3-5-11(9-17)15(10)18-13-8-12(16)6-7-14(13)19-2/h3-8,18H,1-2H3
InChIKeyQNFBOOMBMNHCHX-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.27
Rot. Bonds3

About 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile

2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile (PubChem CID 107106329) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
PubChem CID107106329
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
SMILESCOc1ccc(Cl)cc1Nc1c(C)cccc1C#N
InChIInChI=1S/C15H13ClN2O/c1-10-4-3-5-11(9-17)15(10)18-13-8-12(16)6-7-14(13)19-2/h3-8,18H,1-2H3
InChIKeyQNFBOOMBMNHCHX-UHFFFAOYSA-N
XLogP4.27
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284
2-(2-fluoro-5-methoxyanilino)-3-methylbenzonitrile
CID 107107062
4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile
CID 81283320
2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
CID 107107220
2-[(5-chloro-2-methoxyanilino)methyl]benzonitrile
CID 28578246
2-[[2-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930367
2-(5-amino-2-chloroanilino)-3-methylbenzonitrile
CID 107111345
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
CID 107927968

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile (CID 107106329) is 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile is COc1ccc(Cl)cc1Nc1c(C)cccc1C#N.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile?
The InChIKey is QNFBOOMBMNHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-4-3-5-11(9-17)15(10)18-13-8-12(16)6-7-14(13)19-2/h3-8,18H,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile?
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile has a molecular weight of 272.74 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile is sourced from PubChem (CID 107106329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).