[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate

C13H9Br2NO3 — CID 91674121

IUPAC[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
SMILESCC(=O)O/N=C/c1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H9Br2NO3/c1-8(17)19-16-7-10-3-5-13(18-10)11-4-2-9(14)6-12(11)15/h2-7H,1H3/b16-7+
InChIKeyFRPYWISZNYFBEM-FRKPEAEDSA-N
MW387.03 g/mol
LogP4.37
Rot. Bonds3

About [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate

[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate (PubChem CID 91674121) has the molecular formula C13H9Br2NO3 and a molecular weight of 387.03 g/mol. Its IUPAC name is [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate.

Molecular Properties

Compound Name[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
PubChem CID91674121
Molecular FormulaC13H9Br2NO3
Molecular Weight387.03 g/mol
Exact Mass384.89
IUPAC Name[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
SMILESCC(=O)O/N=C/c1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H9Br2NO3/c1-8(17)19-16-7-10-3-5-13(18-10)11-4-2-9(14)6-12(11)15/h2-7H,1H3/b16-7+
InChIKeyFRPYWISZNYFBEM-FRKPEAEDSA-N
XLogP4.37
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.03
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[5-(4-bromo-2-methylphenyl)furan-2-yl]methylideneamino] acetate
CID 91674098
[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674114
[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino] acetate
CID 91674094
[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674112
(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678298
[(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032883
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine
CID 50879288
[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032878
(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 132591109
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide
CID 124650754

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate?
The IUPAC name of [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate (CID 91674121) is [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate.
What is the SMILES notation for [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate?
The canonical SMILES for [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate is CC(=O)O/N=C/c1ccc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate?
The InChIKey is FRPYWISZNYFBEM-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9Br2NO3/c1-8(17)19-16-7-10-3-5-13(18-10)11-4-2-9(14)6-12(11)15/h2-7H,1H3/b16-7+.
What are the key properties of [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate?
[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate has a molecular weight of 387.03 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate is sourced from PubChem (CID 91674121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).