(E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide

C13H9BrFNO2 — CID 880405

IUPAC(E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrFNO2/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyHCXGLBMXYDERPD-GQCTYLIASA-N
MW310.12 g/mol
LogP3.83
Rot. Bonds3

About (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 880405) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID880405
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name(E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrFNO2/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyHCXGLBMXYDERPD-GQCTYLIASA-N
XLogP3.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (CID 880405) is (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(Br)cc1F.
What is the InChIKey of (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is HCXGLBMXYDERPD-GQCTYLIASA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-9-3-5-12(11(15)8-9)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-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 310.12 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 880405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).