3,4-dibromo-N-(2-bromophenyl)aniline

C12H8Br3N — CID 101290777

IUPAC3,4-dibromo-N-(2-bromophenyl)aniline
SMILESBrc1ccc(Nc2ccccc2Br)cc1Br
InChIInChI=1S/C12H8Br3N/c13-9-6-5-8(7-11(9)15)16-12-4-2-1-3-10(12)14/h1-7,16H
InChIKeyXDSFIRHLNGLJEA-UHFFFAOYSA-N
MW405.92 g/mol
LogP5.72
Rot. Bonds2

About 3,4-dibromo-N-(2-bromophenyl)aniline

3,4-dibromo-N-(2-bromophenyl)aniline (PubChem CID 101290777) has the molecular formula C12H8Br3N and a molecular weight of 405.92 g/mol. Its IUPAC name is 3,4-dibromo-N-(2-bromophenyl)aniline.

Molecular Properties

Compound Name3,4-dibromo-N-(2-bromophenyl)aniline
PubChem CID101290777
Molecular FormulaC12H8Br3N
Molecular Weight405.92 g/mol
Exact Mass402.82
IUPAC Name3,4-dibromo-N-(2-bromophenyl)aniline
SMILESBrc1ccc(Nc2ccccc2Br)cc1Br
InChIInChI=1S/C12H8Br3N/c13-9-6-5-8(7-11(9)15)16-12-4-2-1-3-10(12)14/h1-7,16H
InChIKeyXDSFIRHLNGLJEA-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.92
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-(2-bromoanilino)benzonitrile
CID 107275827
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298
2,5-dibromo-N-(2-bromophenyl)aniline
CID 101290775
N-[4-(aminomethyl)phenyl]-2-bromoaniline
CID 117027399
N-[4-(2-bromoanilino)phenyl]methanesulfonamide
CID 112989037
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
5-N-(2-bromophenyl)pyridine-3,5-diamine
CID 104532355
2-N-(3-bromo-4-methylphenyl)benzene-1,2-diamine
CID 63333214
1,2-bis(2-bromophenyl)hydrazine
CID 139124202
N-(2-bromophenyl)-2-chloroaniline
CID 14022259
5-(2-bromoanilino)pyridine-2-carbonitrile
CID 115487447
4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216912

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-N-(2-bromophenyl)aniline?
The IUPAC name of 3,4-dibromo-N-(2-bromophenyl)aniline (CID 101290777) is 3,4-dibromo-N-(2-bromophenyl)aniline.
What is the SMILES notation for 3,4-dibromo-N-(2-bromophenyl)aniline?
The canonical SMILES for 3,4-dibromo-N-(2-bromophenyl)aniline is Brc1ccc(Nc2ccccc2Br)cc1Br.
What is the InChIKey of 3,4-dibromo-N-(2-bromophenyl)aniline?
The InChIKey is XDSFIRHLNGLJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3N/c13-9-6-5-8(7-11(9)15)16-12-4-2-1-3-10(12)14/h1-7,16H.
What are the key properties of 3,4-dibromo-N-(2-bromophenyl)aniline?
3,4-dibromo-N-(2-bromophenyl)aniline has a molecular weight of 405.92 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-N-(2-bromophenyl)aniline is sourced from PubChem (CID 101290777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).