3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

C23H16F2N2O4 — CID 20875244

IUPAC3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(COc1ccc(F)cc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12
InChIInChI=1S/C23H16F2N2O4/c24-14-9-11-15(12-10-14)30-13-20(28)27-21-16-5-1-4-8-19(16)31-22(21)23(29)26-18-7-3-2-6-17(18)25/h1-12H,13H2,(H,26,29)(H,27,28)
InChIKeyBITYJZDVOKOCOE-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.98
Rot. Bonds6

About 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 20875244) has the molecular formula C23H16F2N2O4 and a molecular weight of 422.39 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID20875244
Molecular FormulaC23H16F2N2O4
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC Name3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(COc1ccc(F)cc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12
InChIInChI=1S/C23H16F2N2O4/c24-14-9-11-15(12-10-14)30-13-20(28)27-21-16-5-1-4-8-19(16)31-22(21)23(29)26-18-7-3-2-6-17(18)25/h1-12H,13H2,(H,26,29)(H,27,28)
InChIKeyBITYJZDVOKOCOE-UHFFFAOYSA-N
XLogP4.98
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159781
N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7116978
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814504
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (CID 20875244) is 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(COc1ccc(F)cc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12.
What is the InChIKey of 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is BITYJZDVOKOCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O4/c24-14-9-11-15(12-10-14)30-13-20(28)27-21-16-5-1-4-8-19(16)31-22(21)23(29)26-18-7-3-2-6-17(18)25/h1-12H,13H2,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 422.39 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).