3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide

C20H15BrClF2NO3 — CID 123217618

IUPAC3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide
SMILESCCC(Oc1ccc(F)c(C(N)=O)c1F)c1cc(-c2ccc(Cl)cc2)c(Br)o1
InChIInChI=1S/C20H15BrClF2NO3/c1-2-14(27-15-8-7-13(23)17(18(15)24)20(25)26)16-9-12(19(21)28-16)10-3-5-11(22)6-4-10/h3-9,14H,2H2,1H3,(H2,25,26)
InChIKeyWAOCPHKUBJDMSB-UHFFFAOYSA-N
MW470.70 g/mol
LogP6.27
Rot. Bonds6

About 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide

3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide (PubChem CID 123217618) has the molecular formula C20H15BrClF2NO3 and a molecular weight of 470.70 g/mol. Its IUPAC name is 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide
PubChem CID123217618
Molecular FormulaC20H15BrClF2NO3
Molecular Weight470.70 g/mol
Exact Mass468.99
IUPAC Name3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide
SMILESCCC(Oc1ccc(F)c(C(N)=O)c1F)c1cc(-c2ccc(Cl)cc2)c(Br)o1
InChIInChI=1S/C20H15BrClF2NO3/c1-2-14(27-15-8-7-13(23)17(18(15)24)20(25)26)16-9-12(19(21)28-16)10-3-5-11(22)6-4-10/h3-9,14H,2H2,1H3,(H2,25,26)
InChIKeyWAOCPHKUBJDMSB-UHFFFAOYSA-N
XLogP6.27
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide (CID 123217618) is 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide is CCC(Oc1ccc(F)c(C(N)=O)c1F)c1cc(-c2ccc(Cl)cc2)c(Br)o1.
What is the InChIKey of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide?
The InChIKey is WAOCPHKUBJDMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClF2NO3/c1-2-14(27-15-8-7-13(23)17(18(15)24)20(25)26)16-9-12(19(21)28-16)10-3-5-11(22)6-4-10/h3-9,14H,2H2,1H3,(H2,25,26).
What are the key properties of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide?
3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide has a molecular weight of 470.70 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]propoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 123217618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).