N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

C17H15NO3 — CID 115598745

IUPACN-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccccc3O)cc2c1
InChIInChI=1S/C17H15NO3/c1-11-6-7-15-13(8-11)9-16(21-15)17(20)18-10-12-4-2-3-5-14(12)19/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyVGSZXESZDKFVHY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.38
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 115598745) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID115598745
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccccc3O)cc2c1
InChIInChI=1S/C17H15NO3/c1-11-6-7-15-13(8-11)9-16(21-15)17(20)18-10-12-4-2-3-5-14(12)19/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyVGSZXESZDKFVHY-UHFFFAOYSA-N
XLogP3.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 60550544
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55960779
5-chloro-N-[(2-methylsulfanylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 11616917
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
N-(4-amino-4-sulfanylidenebutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 55101977
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (CID 115598745) is N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCc3ccccc3O)cc2c1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VGSZXESZDKFVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-6-7-15-13(8-11)9-16(21-15)17(20)18-10-12-4-2-3-5-14(12)19/h2-9,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115598745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).