5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane

C20H18ClF2NO3 — CID 143316142

IUPAC5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane
SMILESCC.O=C(Nc1c(F)cccc1F)c1ccc(Cc2cc(Cl)ccc2O)o1
InChIInChI=1S/C18H12ClF2NO3.C2H6/c19-11-4-6-15(23)10(8-11)9-12-5-7-16(25-12)18(24)22-17-13(20)2-1-3-14(17)21;1-2/h1-8,23H,9H2,(H,22,24);1-2H3
InChIKeyXWTOVTNUHZODRD-UHFFFAOYSA-N
MW393.82 g/mol
LogP5.79
Rot. Bonds4

About 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane

5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane (PubChem CID 143316142) has the molecular formula C20H18ClF2NO3 and a molecular weight of 393.82 g/mol. Its IUPAC name is 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane.

Molecular Properties

Compound Name5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane
PubChem CID143316142
Molecular FormulaC20H18ClF2NO3
Molecular Weight393.82 g/mol
Exact Mass393.09
IUPAC Name5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane
SMILESCC.O=C(Nc1c(F)cccc1F)c1ccc(Cc2cc(Cl)ccc2O)o1
InChIInChI=1S/C18H12ClF2NO3.C2H6/c19-11-4-6-15(23)10(8-11)9-12-5-7-16(25-12)18(24)22-17-13(20)2-1-3-14(17)21;1-2/h1-8,23H,9H2,(H,22,24);1-2H3
InChIKeyXWTOVTNUHZODRD-UHFFFAOYSA-N
XLogP5.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.82
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane?
The IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane (CID 143316142) is 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane.
What is the SMILES notation for 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane?
The canonical SMILES for 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane is CC.O=C(Nc1c(F)cccc1F)c1ccc(Cc2cc(Cl)ccc2O)o1.
What is the InChIKey of 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane?
The InChIKey is XWTOVTNUHZODRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2NO3.C2H6/c19-11-4-6-15(23)10(8-11)9-12-5-7-16(25-12)18(24)22-17-13(20)2-1-3-14(17)21;1-2/h1-8,23H,9H2,(H,22,24);1-2H3.
What are the key properties of 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane?
5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane has a molecular weight of 393.82 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane is sourced from PubChem (CID 143316142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).