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

C20H20N2O3 — CID 41362468

IUPAC3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCC(C)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-12(2)14-9-7-13(8-10-14)11-17(23)22-18-15-5-3-4-6-16(15)25-19(18)20(21)24/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyMSRXFAPXUOWFBK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.84
Rot. Bonds5

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

3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 41362468) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID41362468
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCC(C)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-12(2)14-9-7-13(8-10-14)11-17(23)22-18-15-5-3-4-6-16(15)25-19(18)20(21)24/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyMSRXFAPXUOWFBK-UHFFFAOYSA-N
XLogP3.84
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16837991
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 41362468) is 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is CC(C)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is MSRXFAPXUOWFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12(2)14-9-7-13(8-10-14)11-17(23)22-18-15-5-3-4-6-16(15)25-19(18)20(21)24/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41362468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).