N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide

C17H17NO3 — CID 62232665

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2Cc3ccccc3O2)cc1O
InChIInChI=1S/C17H17NO3/c1-11-6-7-13(9-15(11)19)17(20)18-10-14-8-12-4-2-3-5-16(12)21-14/h2-7,9,14,19H,8,10H2,1H3,(H,18,20)
InChIKeySQRXSJSFDSZLRN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.43
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide (PubChem CID 62232665) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
PubChem CID62232665
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2Cc3ccccc3O2)cc1O
InChIInChI=1S/C17H17NO3/c1-11-6-7-13(9-15(11)19)17(20)18-10-14-8-12-4-2-3-5-16(12)21-14/h2-7,9,14,19H,8,10H2,1H3,(H,18,20)
InChIKeySQRXSJSFDSZLRN-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 47026492
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 47026743
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51078208
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
CID 19065269

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide (CID 62232665) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC2Cc3ccccc3O2)cc1O.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is SQRXSJSFDSZLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-6-7-13(9-15(11)19)17(20)18-10-14-8-12-4-2-3-5-16(12)21-14/h2-7,9,14,19H,8,10H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 62232665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).