2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid

C23H15F2NO4 — CID 59275666

IUPAC2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(C(=O)O)c(F)c3)cc12
InChIInChI=1S/C23H15F2NO4/c1-26-22(27)20-17-10-13(14-4-8-16(23(28)29)18(25)11-14)5-9-19(17)30-21(20)12-2-6-15(24)7-3-12/h2-11H,1H3,(H,26,27)(H,28,29)
InChIKeyFUWSUDUTTPYAGS-UHFFFAOYSA-N
MW407.37 g/mol
LogP5.10
Rot. Bonds4

About 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid

2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid (PubChem CID 59275666) has the molecular formula C23H15F2NO4 and a molecular weight of 407.37 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
PubChem CID59275666
Molecular FormulaC23H15F2NO4
Molecular Weight407.37 g/mol
Exact Mass407.10
IUPAC Name2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(C(=O)O)c(F)c3)cc12
InChIInChI=1S/C23H15F2NO4/c1-26-22(27)20-17-10-13(14-4-8-16(23(28)29)18(25)11-14)5-9-19(17)30-21(20)12-2-6-15(24)7-3-12/h2-11H,1H3,(H,26,27)(H,28,29)
InChIKeyFUWSUDUTTPYAGS-UHFFFAOYSA-N
XLogP5.10
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.37
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-4-methylbenzoic acid
CID 59275131
3-amino-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 143956974
5-(3-carbamoylphenyl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275770
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
ethane;5-[3-(ethylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 143956901
5-[4-chloro-3-(4-methylpentanoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472762
[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662
5-[4-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275720
2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275235
2-(4-fluorophenyl)-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
CID 59275475
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275233

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid?
The IUPAC name of 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid (CID 59275666) is 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(C(=O)O)c(F)c3)cc12.
What is the InChIKey of 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid?
The InChIKey is FUWSUDUTTPYAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO4/c1-26-22(27)20-17-10-13(14-4-8-16(23(28)29)18(25)11-14)5-9-19(17)30-21(20)12-2-6-15(24)7-3-12/h2-11H,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid?
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid has a molecular weight of 407.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid is sourced from PubChem (CID 59275666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).