4-bromo-2-(4-chloroanilino)benzonitrile

C13H8BrClN2 — CID 114901338

IUPAC4-bromo-2-(4-chloroanilino)benzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H8BrClN2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-7,17H
InChIKeyGTDIVNLNCPBMKQ-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.72
Rot. Bonds2

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

4-bromo-2-(4-chloroanilino)benzonitrile (PubChem CID 114901338) has the molecular formula C13H8BrClN2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 4-bromo-2-(4-chloroanilino)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(4-chloroanilino)benzonitrile
PubChem CID114901338
Molecular FormulaC13H8BrClN2
Molecular Weight307.58 g/mol
Exact Mass305.96
IUPAC Name4-bromo-2-(4-chloroanilino)benzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H8BrClN2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-7,17H
InChIKeyGTDIVNLNCPBMKQ-UHFFFAOYSA-N
XLogP4.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
4-bromo-2-[4-(dimethylamino)anilino]benzonitrile
CID 114901483
4-(5-bromo-2-cyanoanilino)benzamide
CID 114901303
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
4-(5-bromo-2-chloroanilino)-2-methylbenzonitrile
CID 81282579
4-bromo-2-(3-chloro-2-fluoroanilino)benzonitrile
CID 114901396
4-bromo-2-[2-(4-chlorophenyl)ethylamino]benzonitrile
CID 114901513
4-(4-bromo-2-chloroanilino)-2-fluorobenzonitrile
CID 113295531
4-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114901444
2-(3-amino-5-methylanilino)-4-bromobenzonitrile
CID 107797158
4-bromo-2-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103586124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-chloroanilino)benzonitrile?
The IUPAC name of 4-bromo-2-(4-chloroanilino)benzonitrile (CID 114901338) is 4-bromo-2-(4-chloroanilino)benzonitrile.
What is the SMILES notation for 4-bromo-2-(4-chloroanilino)benzonitrile?
The canonical SMILES for 4-bromo-2-(4-chloroanilino)benzonitrile is N#Cc1ccc(Br)cc1Nc1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-2-(4-chloroanilino)benzonitrile?
The InChIKey is GTDIVNLNCPBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-7,17H.
What are the key properties of 4-bromo-2-(4-chloroanilino)benzonitrile?
4-bromo-2-(4-chloroanilino)benzonitrile has a molecular weight of 307.58 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-chloroanilino)benzonitrile is sourced from PubChem (CID 114901338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).