N-(2-bromophenyl)-2-chloroaniline

C12H9BrClN — CID 14022259

IUPACN-(2-bromophenyl)-2-chloroaniline
SMILESClc1ccccc1Nc1ccccc1Br
InChIInChI=1S/C12H9BrClN/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H
InChIKeyDAYJQYNQGFBNQY-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.85
Rot. Bonds2

About N-(2-bromophenyl)-2-chloroaniline

N-(2-bromophenyl)-2-chloroaniline (PubChem CID 14022259) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-chloroaniline.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-chloroaniline
PubChem CID14022259
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC NameN-(2-bromophenyl)-2-chloroaniline
SMILESClc1ccccc1Nc1ccccc1Br
InChIInChI=1S/C12H9BrClN/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H
InChIKeyDAYJQYNQGFBNQY-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 104838746
5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965815
N-(2-bromophenyl)-8-chloroquinolin-4-amine
CID 43832738
2,5-dibromo-N-(2-bromophenyl)aniline
CID 101290775
1,2-bis(2-bromophenyl)hydrazine
CID 139124202
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
2,3,5-trichloro-N-(2-chlorophenyl)aniline
CID 101290830
2-(2-bromoanilino)benzonitrile
CID 28602037
2-bromo-6-chloro-N-phenylaniline
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N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
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CID 4816661

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-chloroaniline?
The IUPAC name of N-(2-bromophenyl)-2-chloroaniline (CID 14022259) is N-(2-bromophenyl)-2-chloroaniline.
What is the SMILES notation for N-(2-bromophenyl)-2-chloroaniline?
The canonical SMILES for N-(2-bromophenyl)-2-chloroaniline is Clc1ccccc1Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-chloroaniline?
The InChIKey is DAYJQYNQGFBNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H.
What are the key properties of N-(2-bromophenyl)-2-chloroaniline?
N-(2-bromophenyl)-2-chloroaniline has a molecular weight of 282.57 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-chloroaniline is sourced from PubChem (CID 14022259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).