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

C15H14N2O3 — CID 62059841

IUPAC2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H14N2O3/c1-9-2-4-12(16)11(6-9)15(18)17-10-3-5-13-14(7-10)20-8-19-13/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyAEQHTJQIUFKYAI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.56
Rot. Bonds2

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

2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide (PubChem CID 62059841) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
PubChem CID62059841
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H14N2O3/c1-9-2-4-12(16)11(6-9)15(18)17-10-3-5-13-14(7-10)20-8-19-13/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyAEQHTJQIUFKYAI-UHFFFAOYSA-N
XLogP2.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
N-(1,3-benzodioxol-5-yl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794451
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
N-(1,3-benzodioxol-5-yl)-2-bromo-5-iodobenzamide
CID 103988951
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide (CID 62059841) is 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide?
The InChIKey is AEQHTJQIUFKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-2-4-12(16)11(6-9)15(18)17-10-3-5-13-14(7-10)20-8-19-13/h2-7H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide?
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide has a molecular weight of 270.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide is sourced from PubChem (CID 62059841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).