5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

C17H15NO3 — CID 646279

IUPAC5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C17H15NO3/c1-18(2)17(20)15-13-10-12(19)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyQZYYHSYJKIKPCM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.51
Rot. Bonds2

About 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide (PubChem CID 646279) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
PubChem CID646279
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C17H15NO3/c1-18(2)17(20)15-13-10-12(19)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyQZYYHSYJKIKPCM-UHFFFAOYSA-N
XLogP3.51
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide (CID 646279) is 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide is CN(C)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12.
What is the InChIKey of 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is QZYYHSYJKIKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18(2)17(20)15-13-10-12(19)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,19H,1-2H3.
What are the key properties of 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 646279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).