(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide

C13H9BrINO2 — CID 113231012

IUPAC(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(I)ccc1Br
InChIInChI=1S/C13H9BrINO2/c14-11-5-3-9(15)8-12(11)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyRYSILGDHPRUDAM-GQCTYLIASA-N
MW418.03 g/mol
LogP4.30
Rot. Bonds3

About (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 113231012) has the molecular formula C13H9BrINO2 and a molecular weight of 418.03 g/mol. Its IUPAC name is (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID113231012
Molecular FormulaC13H9BrINO2
Molecular Weight418.03 g/mol
Exact Mass416.89
IUPAC Name(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(I)ccc1Br
InChIInChI=1S/C13H9BrINO2/c14-11-5-3-9(15)8-12(11)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyRYSILGDHPRUDAM-GQCTYLIASA-N
XLogP4.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.03
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5-iodobenzoic acid
CID 45345795
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide
CID 6215097
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 103274604
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(E)-N-[(2-fluoro-4-iodophenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 22776560
(E)-N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880817
N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880816
methyl 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 8001465
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide (CID 113231012) is (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cc(I)ccc1Br.
What is the InChIKey of (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is RYSILGDHPRUDAM-GQCTYLIASA-N. The full InChI is InChI=1S/C13H9BrINO2/c14-11-5-3-9(15)8-12(11)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+.
What are the key properties of (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 418.03 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 113231012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).