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

C17H13FN2O3 — CID 7385792

IUPAC3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3/c18-11-7-5-10(6-8-11)9-14(21)20-15-12-3-1-2-4-13(12)23-16(15)17(19)22/h1-8H,9H2,(H2,19,22)(H,20,21)
InChIKeyHOIOQNNJRKOVTD-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.85
Rot. Bonds4

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

3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 7385792) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID7385792
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3/c18-11-7-5-10(6-8-11)9-14(21)20-15-12-3-1-2-4-13(12)23-16(15)17(19)22/h1-8H,9H2,(H2,19,22)(H,20,21)
InChIKeyHOIOQNNJRKOVTD-UHFFFAOYSA-N
XLogP2.85
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide
CID 18587357
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16837991
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
CID 18585988
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide
CID 139582398
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 7385792) is 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is HOIOQNNJRKOVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-11-7-5-10(6-8-11)9-14(21)20-15-12-3-1-2-4-13(12)23-16(15)17(19)22/h1-8H,9H2,(H2,19,22)(H,20,21).
What are the key properties of 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7385792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).