N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide

C23H18N2O3 — CID 46942671

IUPACN-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc(-c2coc3c(C(=O)NCc4ccccc4)cccc23)c1
InChIInChI=1S/C23H18N2O3/c24-22(26)17-9-4-8-16(12-17)20-14-28-21-18(20)10-5-11-19(21)23(27)25-13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H2,24,26)(H,25,27)
InChIKeyROOBYPZZXWTVFM-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.13
Rot. Bonds5

About N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide

N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide (PubChem CID 46942671) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide
PubChem CID46942671
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc(-c2coc3c(C(=O)NCc4ccccc4)cccc23)c1
InChIInChI=1S/C23H18N2O3/c24-22(26)17-9-4-8-16(12-17)20-14-28-21-18(20)10-5-11-19(21)23(27)25-13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H2,24,26)(H,25,27)
InChIKeyROOBYPZZXWTVFM-UHFFFAOYSA-N
XLogP4.13
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide?
The IUPAC name of N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide (CID 46942671) is N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide is NC(=O)c1cccc(-c2coc3c(C(=O)NCc4ccccc4)cccc23)c1.
What is the InChIKey of N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide?
The InChIKey is ROOBYPZZXWTVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c24-22(26)17-9-4-8-16(12-17)20-14-28-21-18(20)10-5-11-19(21)23(27)25-13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H2,24,26)(H,25,27).
What are the key properties of N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide?
N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-carbamoylphenyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46942671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).