4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile

C13H7BrCl2N2 — CID 63510934

IUPAC4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2Cl)cc1Cl
InChIInChI=1S/C13H7BrCl2N2/c14-9-2-4-13(12(16)5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6,18H
InChIKeyWOWZMGBYFWRLJA-UHFFFAOYSA-N
MW342.02 g/mol
LogP5.37
Rot. Bonds2

About 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile

4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile (PubChem CID 63510934) has the molecular formula C13H7BrCl2N2 and a molecular weight of 342.02 g/mol. Its IUPAC name is 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
PubChem CID63510934
Molecular FormulaC13H7BrCl2N2
Molecular Weight342.02 g/mol
Exact Mass339.92
IUPAC Name4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2Cl)cc1Cl
InChIInChI=1S/C13H7BrCl2N2/c14-9-2-4-13(12(16)5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6,18H
InChIKeyWOWZMGBYFWRLJA-UHFFFAOYSA-N
XLogP5.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.02
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-chloroanilino)-2-fluorobenzonitrile
CID 113295531
4-(4-bromo-2,3-dichloroanilino)-2-chlorobenzonitrile
CID 107790842
4-(2-bromo-5-chloroanilino)-2-chlorobenzonitrile
CID 81271577
4-(5-bromo-2-chloroanilino)-2-methylbenzonitrile
CID 81282579
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
4-(3-bromo-5-methylanilino)-2-chlorobenzonitrile
CID 107583655
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
4-(3-bromo-5-methoxyanilino)-2-chlorobenzonitrile
CID 82867818
2-amino-5-(4-bromo-2-cyanoanilino)benzonitrile
CID 82702495
5-bromo-2-(3,4-dimethylanilino)benzonitrile
CID 114890407

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile?
The IUPAC name of 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile (CID 63510934) is 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile.
What is the SMILES notation for 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile?
The canonical SMILES for 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile is N#Cc1ccc(Nc2ccc(Br)cc2Cl)cc1Cl.
What is the InChIKey of 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile?
The InChIKey is WOWZMGBYFWRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2/c14-9-2-4-13(12(16)5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6,18H.
What are the key properties of 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile?
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile has a molecular weight of 342.02 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile is sourced from PubChem (CID 63510934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).