(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide

C19H15BrN2O2 — CID 46797124

IUPAC(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H15BrN2O2/c20-17-11-9-15(24-17)10-12-18(23)22-19(14-6-2-1-3-7-14)16-8-4-5-13-21-16/h1-13,19H,(H,22,23)/b12-10+
InChIKeyLCYDRIBPGYPOQL-ZRDIBKRKSA-N
MW383.25 g/mol
LogP4.36
Rot. Bonds5

About (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide (PubChem CID 46797124) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
PubChem CID46797124
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H15BrN2O2/c20-17-11-9-15(24-17)10-12-18(23)22-19(14-6-2-1-3-7-14)16-8-4-5-13-21-16/h1-13,19H,(H,22,23)/b12-10+
InChIKeyLCYDRIBPGYPOQL-ZRDIBKRKSA-N
XLogP4.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide (CID 46797124) is (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(Br)o1)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
The InChIKey is LCYDRIBPGYPOQL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-17-11-9-15(24-17)10-12-18(23)22-19(14-6-2-1-3-7-14)16-8-4-5-13-21-16/h1-13,19H,(H,22,23)/b12-10+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide has a molecular weight of 383.25 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 46797124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).