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

C24H19FN2O4 — CID 7152285

IUPACN-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccccc3F)oc3ccccc23)c1
InChIInChI=1S/C24H19FN2O4/c1-15-7-6-8-16(13-15)30-14-21(28)27-22-17-9-2-5-12-20(17)31-23(22)24(29)26-19-11-4-3-10-18(19)25/h2-13H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyKNAXPYBVVRKEGA-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.15
Rot. Bonds6

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

N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 7152285) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID7152285
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC NameN-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccccc3F)oc3ccccc23)c1
InChIInChI=1S/C24H19FN2O4/c1-15-7-6-8-16(13-15)30-14-21(28)27-22-17-9-2-5-12-20(17)31-23(22)24(29)26-19-11-4-3-10-18(19)25/h2-13H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyKNAXPYBVVRKEGA-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-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875244
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7116978
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159781
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511005

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (CID 7152285) is N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccccc3F)oc3ccccc23)c1.
What is the InChIKey of N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is KNAXPYBVVRKEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-15-7-6-8-16(13-15)30-14-21(28)27-22-17-9-2-5-12-20(17)31-23(22)24(29)26-19-11-4-3-10-18(19)25/h2-13H,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(2-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-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7152285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).