3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide

C20H20N2O3 — CID 46942599

IUPAC3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide
SMILESCC(C)CNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12
InChIInChI=1S/C20H20N2O3/c1-12(2)10-22-20(24)16-8-4-7-15-17(11-25-18(15)16)13-5-3-6-14(9-13)19(21)23/h3-9,11-12H,10H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyFACVAGSZJPFYSK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.58
Rot. Bonds5

About 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide

3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide (PubChem CID 46942599) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide
PubChem CID46942599
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide
SMILESCC(C)CNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12
InChIInChI=1S/C20H20N2O3/c1-12(2)10-22-20(24)16-8-4-7-15-17(11-25-18(15)16)13-5-3-6-14(9-13)19(21)23/h3-9,11-12H,10H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyFACVAGSZJPFYSK-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide (CID 46942599) is 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide is CC(C)CNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12.
What is the InChIKey of 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide?
The InChIKey is FACVAGSZJPFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12(2)10-22-20(24)16-8-4-7-15-17(11-25-18(15)16)13-5-3-6-14(9-13)19(21)23/h3-9,11-12H,10H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide?
3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoylphenyl)-N-(2-methylpropyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46942599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).