2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline

C9H7Br3ClN — CID 130483994

IUPAC2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline
SMILESC=C(Br)CNc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C9H7Br3ClN/c1-5(10)4-14-9-7(11)2-6(13)3-8(9)12/h2-3,14H,1,4H2
InChIKeyLNRVVXBPWRBMDK-UHFFFAOYSA-N
MW404.33 g/mol
LogP5.19
Rot. Bonds3

About 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline

2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline (PubChem CID 130483994) has the molecular formula C9H7Br3ClN and a molecular weight of 404.33 g/mol. Its IUPAC name is 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline
PubChem CID130483994
Molecular FormulaC9H7Br3ClN
Molecular Weight404.33 g/mol
Exact Mass400.78
IUPAC Name2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline
SMILESC=C(Br)CNc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C9H7Br3ClN/c1-5(10)4-14-9-7(11)2-6(13)3-8(9)12/h2-3,14H,1,4H2
InChIKeyLNRVVXBPWRBMDK-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.33
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
CID 60873202
2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide
CID 131059733
1,3-bis(2,6-dibromo-4-chlorophenyl)urea
CID 3259704
2,6-dibromo-4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114209069
5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine
CID 106195566
N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
CID 61467052
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136773677
methyl 2-(2-bromo-4-chloro-6-nitroanilino)acetate
CID 134180396
2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
CID 104924053
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol
CID 168593328

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline?
The IUPAC name of 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline (CID 130483994) is 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline.
What is the SMILES notation for 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline?
The canonical SMILES for 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline is C=C(Br)CNc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline?
The InChIKey is LNRVVXBPWRBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3ClN/c1-5(10)4-14-9-7(11)2-6(13)3-8(9)12/h2-3,14H,1,4H2.
What are the key properties of 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline?
2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline has a molecular weight of 404.33 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2-bromoprop-2-enyl)-4-chloroaniline is sourced from PubChem (CID 130483994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).