3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

C24H19FN2O4 — CID 20875259

IUPAC3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C24H19FN2O4/c1-2-30-19-12-5-4-11-18(19)23(28)27-21-17-10-3-6-13-20(17)31-22(21)24(29)26-16-9-7-8-15(25)14-16/h3-14H,2H2,1H3,(H,26,29)(H,27,28)
InChIKeyBMJSUKRBTFMVIV-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.48
Rot. Bonds6

About 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 20875259) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID20875259
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C24H19FN2O4/c1-2-30-19-12-5-4-11-18(19)23(28)27-21-17-10-3-6-13-20(17)31-22(21)24(29)26-16-9-7-8-15(25)14-16/h3-14H,2H2,1H3,(H,26,29)(H,27,28)
InChIKeyBMJSUKRBTFMVIV-UHFFFAOYSA-N
XLogP5.48
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
N-dibenzofuran-2-yl-2-ethoxybenzamide
CID 16552367
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159878
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide (CID 20875259) is 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide is CCOc1ccccc1C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12.
What is the InChIKey of 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is BMJSUKRBTFMVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-2-30-19-12-5-4-11-18(19)23(28)27-21-17-10-3-6-13-20(17)31-22(21)24(29)26-16-9-7-8-15(25)14-16/h3-14H,2H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).