3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide

C17H14N2O3 — CID 739886

IUPAC3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H14N2O3/c18-17(21)16-15(12-8-4-5-9-13(12)22-16)19-14(20)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,21)(H,19,20)
InChIKeyGQWIPFWYTMYQQZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.71
Rot. Bonds4

About 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide

3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 739886) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID739886
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H14N2O3/c18-17(21)16-15(12-8-4-5-9-13(12)22-16)19-14(20)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,21)(H,19,20)
InChIKeyGQWIPFWYTMYQQZ-UHFFFAOYSA-N
XLogP2.71
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-Oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 135415469
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
(3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
CID 693230
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-[4-(hexanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1868107

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide (CID 739886) is 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1.
What is the InChIKey of 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is GQWIPFWYTMYQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c18-17(21)16-15(12-8-4-5-9-13(12)22-16)19-14(20)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,21)(H,19,20).
What are the key properties of 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide?
3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).