1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide

C16H13NO4 — CID 10016669

IUPAC1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide
SMILESCN(C(=O)C1(O)OC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO4/c1-17(11-7-3-2-4-8-11)15(19)16(20)13-10-6-5-9-12(13)14(18)21-16/h2-10,20H,1H3
InChIKeyWWXSZMTVPGQYOT-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.67
Rot. Bonds2

About 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide

1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide (PubChem CID 10016669) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide
PubChem CID10016669
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide
SMILESCN(C(=O)C1(O)OC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO4/c1-17(11-7-3-2-4-8-11)15(19)16(20)13-10-6-5-9-12(13)14(18)21-16/h2-10,20H,1H3
InChIKeyWWXSZMTVPGQYOT-UHFFFAOYSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
1,1,3,3-tetramethyl-2-(3-oxo-1-phenyl-2-benzofuran-1-yl)guanidine
CID 177459965
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 21244010
3-hydroxy-3-[(N-methylanilino)methyl]-2H-isoindol-1-one
CID 12996970
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-methyl-N-phenylfluorene-2-carboxamide
CID 143972688
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide?
The IUPAC name of 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide (CID 10016669) is 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide is CN(C(=O)C1(O)OC(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide?
The InChIKey is WWXSZMTVPGQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-17(11-7-3-2-4-8-11)15(19)16(20)13-10-6-5-9-12(13)14(18)21-16/h2-10,20H,1H3.
What are the key properties of 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide?
1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-methyl-3-oxo-N-phenyl-2-benzofuran-1-carboxamide is sourced from PubChem (CID 10016669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).