(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide

C20H12BrNO4 — CID 51370939

IUPAC(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H12BrNO4/c21-14-3-6-17-13(9-14)10-16(25-17)5-7-19(23)22-15-4-1-12-2-8-20(24)26-18(12)11-15/h1-11H,(H,22,23)/b7-5+
InChIKeyYNGUYGHGNDVMNL-FNORWQNLSA-N
MW410.22 g/mol
LogP4.95
Rot. Bonds3

About (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide

(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide (PubChem CID 51370939) has the molecular formula C20H12BrNO4 and a molecular weight of 410.22 g/mol. Its IUPAC name is (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide
PubChem CID51370939
Molecular FormulaC20H12BrNO4
Molecular Weight410.22 g/mol
Exact Mass408.99
IUPAC Name(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H12BrNO4/c21-14-3-6-17-13(9-14)10-16(25-17)5-7-19(23)22-15-4-1-12-2-8-20(24)26-18(12)11-15/h1-11H,(H,22,23)/b7-5+
InChIKeyYNGUYGHGNDVMNL-FNORWQNLSA-N
XLogP4.95
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
CID 2032727
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 51370786
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
3-(3,5-dibromo-2-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
CID 4263885
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 51370941
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
(E)-N-(2-oxochromen-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 162649422
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 51370775
(2-oxochromen-6-yl)carbamic acid
CID 18427920
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
5-bromo-2-methoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide
CID 3974750

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide (CID 51370939) is (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide is O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1ccc2ccc(=O)oc2c1.
What is the InChIKey of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide?
The InChIKey is YNGUYGHGNDVMNL-FNORWQNLSA-N. The full InChI is InChI=1S/C20H12BrNO4/c21-14-3-6-17-13(9-14)10-16(25-17)5-7-19(23)22-15-4-1-12-2-8-20(24)26-18(12)11-15/h1-11H,(H,22,23)/b7-5+.
What are the key properties of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide?
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide has a molecular weight of 410.22 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide is sourced from PubChem (CID 51370939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).