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

C23H17FN2O4 — CID 20875272

IUPACN-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESO=C(COc1ccccc1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C23H17FN2O4/c24-15-7-6-8-16(13-15)25-23(28)22-21(18-11-4-5-12-19(18)30-22)26-20(27)14-29-17-9-2-1-3-10-17/h1-13H,14H2,(H,25,28)(H,26,27)
InChIKeySOHNUTGPSRKGBC-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.84
Rot. Bonds6

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

N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 20875272) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID20875272
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC NameN-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESO=C(COc1ccccc1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C23H17FN2O4/c24-15-7-6-8-16(13-15)25-23(28)22-21(18-11-4-5-12-19(18)30-22)26-20(27)14-29-17-9-2-1-3-10-17/h1-13H,14H2,(H,25,28)(H,26,27)
InChIKeySOHNUTGPSRKGBC-UHFFFAOYSA-N
XLogP4.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159878
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875244
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
[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-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide (CID 20875272) is N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide is O=C(COc1ccccc1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is SOHNUTGPSRKGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c24-15-7-6-8-16(13-15)25-23(28)22-21(18-11-4-5-12-19(18)30-22)26-20(27)14-29-17-9-2-1-3-10-17/h1-13H,14H2,(H,25,28)(H,26,27).
What are the key properties of N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 4.84, 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-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).