3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide

C13H9BrFNO2 — CID 53395708

IUPAC3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C13H9BrFNO2/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H2,16,17)
InChIKeyOLTAYSFXYZLBLG-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.35
Rot. Bonds3

About 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide

3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 53395708) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
PubChem CID53395708
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C13H9BrFNO2/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H2,16,17)
InChIKeyOLTAYSFXYZLBLG-UHFFFAOYSA-N
XLogP3.35
TPSA56.23 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 ≤ 53.35
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 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide (CID 53395708) is 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide is NC(=O)C=Cc1ccc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is OLTAYSFXYZLBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H2,16,17).
What are the key properties of 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide?
3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 310.12 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 53395708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).