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

C24H19FN2O4 — CID 6622692

IUPACN-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1cccc(OCC(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)c1
InChIInChI=1S/C24H19FN2O4/c1-15-6-4-9-18(12-15)30-14-21(28)27-22-19-10-2-3-11-20(19)31-23(22)24(29)26-17-8-5-7-16(25)13-17/h2-13H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyLUBNLZPCWLGSRQ-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.15
Rot. Bonds6

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

N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 6622692) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID6622692
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC NameN-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1cccc(OCC(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)c1
InChIInChI=1S/C24H19FN2O4/c1-15-6-4-9-18(12-15)30-14-21(28)27-22-19-10-2-3-11-20(19)31-23(22)24(29)26-17-8-5-7-16(25)13-17/h2-13H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyLUBNLZPCWLGSRQ-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
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-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159878
[2-(3-fluoroanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666924

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (CID 6622692) is N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is LUBNLZPCWLGSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-15-6-4-9-18(12-15)30-14-21(28)27-22-19-10-2-3-11-20(19)31-23(22)24(29)26-17-8-5-7-16(25)13-17/h2-13H,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6622692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).