3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile

C14H10Cl2N2O — CID 55194800

IUPAC3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile
SMILESCOc1ccc(Cl)c(Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O/c1-19-10-3-4-11(15)14(7-10)18-13-5-2-9(8-17)6-12(13)16/h2-7,18H,1H3
InChIKeyBHWYVMUDKZMBQJ-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.62
Rot. Bonds3

About 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile

3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile (PubChem CID 55194800) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile
PubChem CID55194800
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile
SMILESCOc1ccc(Cl)c(Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O/c1-19-10-3-4-11(15)14(7-10)18-13-5-2-9(8-17)6-12(13)16/h2-7,18H,1H3
InChIKeyBHWYVMUDKZMBQJ-UHFFFAOYSA-N
XLogP4.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(3-methoxyanilino)benzonitrile
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2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
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3-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
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4-chloro-3-(4-methoxyphenyl)benzonitrile
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3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
CID 114251227
3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
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3-chloro-4-(3,5-dichloroanilino)benzonitrile
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4-(2-bromo-5-chloro-4-methylanilino)-3-chlorobenzonitrile
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3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile?
The IUPAC name of 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile (CID 55194800) is 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile.
What is the SMILES notation for 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile?
The canonical SMILES for 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile is COc1ccc(Cl)c(Nc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile?
The InChIKey is BHWYVMUDKZMBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-19-10-3-4-11(15)14(7-10)18-13-5-2-9(8-17)6-12(13)16/h2-7,18H,1H3.
What are the key properties of 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile?
3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile has a molecular weight of 293.15 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile is sourced from PubChem (CID 55194800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).