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

C14H10Cl2N2O — CID 107621927

IUPAC4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile
SMILESCOc1cc(Nc2cc(Cl)ccc2C#N)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O/c1-19-14-7-11(4-5-12(14)16)18-13-6-10(15)3-2-9(13)8-17/h2-7,18H,1H3
InChIKeyREXGUEDLSMQQGT-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.62
Rot. Bonds3

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

4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile (PubChem CID 107621927) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile
PubChem CID107621927
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile
SMILESCOc1cc(Nc2cc(Cl)ccc2C#N)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O/c1-19-14-7-11(4-5-12(14)16)18-13-6-10(15)3-2-9(13)8-17/h2-7,18H,1H3
InChIKeyREXGUEDLSMQQGT-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

2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
CID 81299476
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
4-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114901444
4-(2-bromo-5-chloroanilino)-2-chlorobenzonitrile
CID 81271577
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 61036659
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
4-chloro-2-(3-fluoro-5-methylanilino)benzonitrile
CID 79049328
2-(3-acetyl-4-aminoanilino)-4-chlorobenzonitrile
CID 104612895
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
CID 104727196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile?
The IUPAC name of 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile (CID 107621927) is 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile?
The canonical SMILES for 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile is COc1cc(Nc2cc(Cl)ccc2C#N)ccc1Cl.
What is the InChIKey of 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile?
The InChIKey is REXGUEDLSMQQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-19-14-7-11(4-5-12(14)16)18-13-6-10(15)3-2-9(13)8-17/h2-7,18H,1H3.
What are the key properties of 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile?
4-chloro-2-(4-chloro-3-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 4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile is sourced from PubChem (CID 107621927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).