(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide

C13H9Br2NO3 — CID 91678298

IUPAC(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2Br)o1)NO
InChIInChI=1S/C13H9Br2NO3/c14-8-1-4-10(11(15)7-8)12-5-2-9(19-12)3-6-13(17)16-18/h1-7,18H,(H,16,17)/b6-3+
InChIKeyCLRPUNMFUQVMKZ-ZZXKWVIFSA-N
MW387.03 g/mol
LogP3.99
Rot. Bonds3

About (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide

(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide (PubChem CID 91678298) has the molecular formula C13H9Br2NO3 and a molecular weight of 387.03 g/mol. Its IUPAC name is (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
PubChem CID91678298
Molecular FormulaC13H9Br2NO3
Molecular Weight387.03 g/mol
Exact Mass384.89
IUPAC Name(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2Br)o1)NO
InChIInChI=1S/C13H9Br2NO3/c14-8-1-4-10(11(15)7-8)12-5-2-9(19-12)3-6-13(17)16-18/h1-7,18H,(H,16,17)/b6-3+
InChIKeyCLRPUNMFUQVMKZ-ZZXKWVIFSA-N
XLogP3.99
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.03
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 132591109
(E)-N-(4-amino-2-bromo-6-methylphenyl)-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 100828433
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675716
(E)-3-[5-(2-bromo-4-chlorophenyl)furan-2-yl]prop-2-enoyl chloride
CID 28694182
(E)-3-[5-(4-bromo-2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 17274084
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678289
3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
CID 53395708
(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide
CID 124650754
[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
CID 91674121
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enoyl chloride
CID 91675715
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide (CID 91678298) is (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(Br)cc2Br)o1)NO.
What is the InChIKey of (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide?
The InChIKey is CLRPUNMFUQVMKZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H9Br2NO3/c14-8-1-4-10(11(15)7-8)12-5-2-9(19-12)3-6-13(17)16-18/h1-7,18H,(H,16,17)/b6-3+.
What are the key properties of (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide?
(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide has a molecular weight of 387.03 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 91678298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).