4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid

C20H15F2NO5 — CID 23647308

IUPAC4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(NC(=O)c3cocc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H15F2NO5/c1-2-28-13-5-3-4-11(6-13)12-7-16(21)18(17(22)8-12)23-19(24)14-9-27-10-15(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyIWGJGUHGJBCCPB-UHFFFAOYSA-N
MW387.34 g/mol
LogP4.57
Rot. Bonds6

About 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid

4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 23647308) has the molecular formula C20H15F2NO5 and a molecular weight of 387.34 g/mol. Its IUPAC name is 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid
PubChem CID23647308
Molecular FormulaC20H15F2NO5
Molecular Weight387.34 g/mol
Exact Mass387.09
IUPAC Name4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(NC(=O)c3cocc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H15F2NO5/c1-2-28-13-5-3-4-11(6-13)12-7-16(21)18(17(22)8-12)23-19(24)14-9-27-10-15(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyIWGJGUHGJBCCPB-UHFFFAOYSA-N
XLogP4.57
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid (CID 23647308) is 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid is CCOc1cccc(-c2cc(F)c(NC(=O)c3cocc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is IWGJGUHGJBCCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO5/c1-2-28-13-5-3-4-11(6-13)12-7-16(21)18(17(22)8-12)23-19(24)14-9-27-10-15(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid?
4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 387.34 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 23647308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).