N-(1,2-dibromoethenyl)aniline

C8H7Br2N — CID 173162967

IUPACN-(1,2-dibromoethenyl)aniline
SMILESBrC=C(Br)Nc1ccccc1
InChIInChI=1S/C8H7Br2N/c9-6-8(10)11-7-4-2-1-3-5-7/h1-6,11H
InChIKeyIFRKEVFJMBEIGS-UHFFFAOYSA-N
MW276.96 g/mol
LogP3.69
Rot. Bonds2

About N-(1,2-dibromoethenyl)aniline

N-(1,2-dibromoethenyl)aniline (PubChem CID 173162967) has the molecular formula C8H7Br2N and a molecular weight of 276.96 g/mol. Its IUPAC name is N-(1,2-dibromoethenyl)aniline.

Molecular Properties

Compound NameN-(1,2-dibromoethenyl)aniline
PubChem CID173162967
Molecular FormulaC8H7Br2N
Molecular Weight276.96 g/mol
Exact Mass274.89
IUPAC NameN-(1,2-dibromoethenyl)aniline
SMILESBrC=C(Br)Nc1ccccc1
InChIInChI=1S/C8H7Br2N/c9-6-8(10)11-7-4-2-1-3-5-7/h1-6,11H
InChIKeyIFRKEVFJMBEIGS-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.96
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-5-bromohexa-1,3,5-trien-2-yl]aniline
CID 156868377
acetyl bromide;N-phenylacetamide
CID 175285562
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
N-[(E)-2-bromo-2-hydrazinylethenyl]aniline
CID 177153745
N-phenyl-N'-(trimethylazaniumyl)carbamimidate
CID 20676060
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837
aniline;phenylcarbamic acid
CID 173402321
1-anilinoethylidenechromium
CID 519989
cobalt;N-phenylacetamide
CID 158689050
(E)-3-hydroxy-N-phenylprop-2-enethioamide
CID 137263718
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
(Z)-3-iodo-N-phenylpent-3-enamide
CID 71606946

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dibromoethenyl)aniline?
The IUPAC name of N-(1,2-dibromoethenyl)aniline (CID 173162967) is N-(1,2-dibromoethenyl)aniline.
What is the SMILES notation for N-(1,2-dibromoethenyl)aniline?
The canonical SMILES for N-(1,2-dibromoethenyl)aniline is BrC=C(Br)Nc1ccccc1.
What is the InChIKey of N-(1,2-dibromoethenyl)aniline?
The InChIKey is IFRKEVFJMBEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N/c9-6-8(10)11-7-4-2-1-3-5-7/h1-6,11H.
What are the key properties of N-(1,2-dibromoethenyl)aniline?
N-(1,2-dibromoethenyl)aniline has a molecular weight of 276.96 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dibromoethenyl)aniline is sourced from PubChem (CID 173162967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).