N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide

C15H13NO4 — CID 82786917

IUPACN-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO4/c1-9-11(3-2-4-12(9)17)15(18)16-10-5-6-13-14(7-10)20-8-19-13/h2-7,17H,8H2,1H3,(H,16,18)
InChIKeyBYRDLKNQIYSAJF-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.68
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide

N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide (PubChem CID 82786917) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
PubChem CID82786917
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO4/c1-9-11(3-2-4-12(9)17)15(18)16-10-5-6-13-14(7-10)20-8-19-13/h2-7,17H,8H2,1H3,(H,16,18)
InChIKeyBYRDLKNQIYSAJF-UHFFFAOYSA-N
XLogP2.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
CID 110701467
N-(1,3-benzodioxol-5-yl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794204
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
N-[3-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 38496033
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide (CID 82786917) is N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide?
The InChIKey is BYRDLKNQIYSAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-11(3-2-4-12(9)17)15(18)16-10-5-6-13-14(7-10)20-8-19-13/h2-7,17H,8H2,1H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide?
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide has a molecular weight of 271.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82786917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).