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

C15H13NO4 — CID 16573543

IUPACN-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H13NO4/c1-9-2-4-12(17)11(6-9)15(18)16-10-3-5-13-14(7-10)20-8-19-13/h2-7,17H,8H2,1H3,(H,16,18)
InChIKeyHPBMLZQQRVOIHE-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.68
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide (PubChem CID 16573543) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
PubChem CID16573543
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H13NO4/c1-9-2-4-12(17)11(6-9)15(18)16-10-3-5-13-14(7-10)20-8-19-13/h2-7,17H,8H2,1H3,(H,16,18)
InChIKeyHPBMLZQQRVOIHE-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

2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794451
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
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
CID 16776296
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92679696
N-(1,3-benzodioxol-5-yl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794204

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide (CID 16573543) is N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide?
The InChIKey is HPBMLZQQRVOIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-2-4-12(17)11(6-9)15(18)16-10-3-5-13-14(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)-2-hydroxy-5-methylbenzamide?
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-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)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 16573543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).