[[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate

C10H9Br2NO2 — CID 57293911

IUPAC[[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate
SMILESCC(=O)ONC(=CBr)c1ccc(Br)cc1
InChIInChI=1S/C10H9Br2NO2/c1-7(14)15-13-10(6-11)8-2-4-9(12)5-3-8/h2-6,13H,1H3
InChIKeyZWESJMVRNDDIHU-UHFFFAOYSA-N
MW335.00 g/mol
LogP3.21
Rot. Bonds3

About [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate

[[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate (PubChem CID 57293911) has the molecular formula C10H9Br2NO2 and a molecular weight of 335.00 g/mol. Its IUPAC name is [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate.

Molecular Properties

Compound Name[[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate
PubChem CID57293911
Molecular FormulaC10H9Br2NO2
Molecular Weight335.00 g/mol
Exact Mass332.90
IUPAC Name[[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate
SMILESCC(=O)ONC(=CBr)c1ccc(Br)cc1
InChIInChI=1S/C10H9Br2NO2/c1-7(14)15-13-10(6-11)8-2-4-9(12)5-3-8/h2-6,13H,1H3
InChIKeyZWESJMVRNDDIHU-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.00
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
CID 49831966
1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
CID 57308211
[(4-Bromo-2-fluorophenyl)methylamino] 2,2-dimethylpropanoate
CID 174760434
2-[1-(4-Bromophenyl)ethenylamino]oxyacetic acid
CID 1849698
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate
CID 56994722
1-(4-bromophenyl)-N-methoxyethenamine
CID 56995875
1-(3-bromophenyl)-N-methoxyethenamine
CID 57089409
1-(3,4-dibromophenyl)-N-methoxyethenamine
CID 57103226
N-[1-(4-bromophenyl)ethenylamino]oxyacetamide
CID 57147018
1-(2-bromophenyl)-N-methoxyethenamine
CID 57153444
Methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
CID 57210391
actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide
CID 59082654

Frequently Asked Questions

What is the IUPAC name of [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate?
The IUPAC name of [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate (CID 57293911) is [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate.
What is the SMILES notation for [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate?
The canonical SMILES for [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate is CC(=O)ONC(=CBr)c1ccc(Br)cc1.
What is the InChIKey of [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate?
The InChIKey is ZWESJMVRNDDIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2/c1-7(14)15-13-10(6-11)8-2-4-9(12)5-3-8/h2-6,13H,1H3.
What are the key properties of [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate?
[[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate has a molecular weight of 335.00 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-bromo-1-(4-bromophenyl)ethenyl]amino] acetate is sourced from PubChem (CID 57293911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).