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

C19H13BrClF2NO4 — CID 123748987

IUPAC3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OC(CO)c2cc(-c3ccc(Cl)cc3)c(Br)o2)c1F
InChIInChI=1S/C19H13BrClF2NO4/c20-18-11(9-1-3-10(21)4-2-9)7-14(28-18)15(8-25)27-13-6-5-12(22)16(17(13)23)19(24)26/h1-7,15,25H,8H2,(H2,24,26)
InChIKeyQKRZVTQKCHBDKB-UHFFFAOYSA-N
MW472.67 g/mol
LogP4.85
Rot. Bonds6

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

3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide (PubChem CID 123748987) has the molecular formula C19H13BrClF2NO4 and a molecular weight of 472.67 g/mol. Its IUPAC name is 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
PubChem CID123748987
Molecular FormulaC19H13BrClF2NO4
Molecular Weight472.67 g/mol
Exact Mass470.97
IUPAC Name3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OC(CO)c2cc(-c3ccc(Cl)cc3)c(Br)o2)c1F
InChIInChI=1S/C19H13BrClF2NO4/c20-18-11(9-1-3-10(21)4-2-9)7-14(28-18)15(8-25)27-13-6-5-12(22)16(17(13)23)19(24)26/h1-7,15,25H,8H2,(H2,24,26)
InChIKeyQKRZVTQKCHBDKB-UHFFFAOYSA-N
XLogP4.85
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide (CID 123748987) is 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OC(CO)c2cc(-c3ccc(Cl)cc3)c(Br)o2)c1F.
What is the InChIKey of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
The InChIKey is QKRZVTQKCHBDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClF2NO4/c20-18-11(9-1-3-10(21)4-2-9)7-14(28-18)15(8-25)27-13-6-5-12(22)16(17(13)23)19(24)26/h1-7,15,25H,8H2,(H2,24,26).
What are the key properties of 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?
3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide has a molecular weight of 472.67 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-bromo-4-(4-chlorophenyl)furan-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 123748987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).