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

C24H19FN2O3 — CID 20875320

IUPACN-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1cccc(CC(=O)Nc2c(C(=O)Nc3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C24H19FN2O3/c1-15-5-4-6-16(13-15)14-21(28)27-22-19-7-2-3-8-20(19)30-23(22)24(29)26-18-11-9-17(25)10-12-18/h2-13H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyJJNUUMLXIBIIDW-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.31
Rot. Bonds5

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

N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 20875320) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID20875320
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC NameN-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1cccc(CC(=O)Nc2c(C(=O)Nc3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C24H19FN2O3/c1-15-5-4-6-16(13-15)14-21(28)27-22-19-7-2-3-8-20(19)30-23(22)24(29)26-18-11-9-17(25)10-12-18/h2-13H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyJJNUUMLXIBIIDW-UHFFFAOYSA-N
XLogP5.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 20926316
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000
3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
CID 142812091

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 20875320) is N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is Cc1cccc(CC(=O)Nc2c(C(=O)Nc3ccc(F)cc3)oc3ccccc23)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is JJNUUMLXIBIIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-5-4-6-16(13-15)14-21(28)27-22-19-7-2-3-8-20(19)30-23(22)24(29)26-18-11-9-17(25)10-12-18/h2-13H,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).