3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide

C15H14N2O3 — CID 61212849

IUPAC3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCc2cccc3c2OCO3)c1
InChIInChI=1S/C15H14N2O3/c16-12-5-1-3-10(7-12)15(18)17-8-11-4-2-6-13-14(11)20-9-19-13/h1-7H,8-9,16H2,(H,17,18)
InChIKeyJZRQNWMINFHHME-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide

3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide (PubChem CID 61212849) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
PubChem CID61212849
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCc2cccc3c2OCO3)c1
InChIInChI=1S/C15H14N2O3/c16-12-5-1-3-10(7-12)15(18)17-8-11-4-2-6-13-14(11)20-9-19-13/h1-7H,8-9,16H2,(H,17,18)
InChIKeyJZRQNWMINFHHME-UHFFFAOYSA-N
XLogP1.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.93
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-4-ylmethyl)-3-(chloromethyl)benzamide
CID 61210778
4-amino-N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzamide
CID 107794291
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-4-methylbenzamide
CID 79466746
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293674
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
3-amino-N-(1,3-benzodioxol-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115245
3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 110474429
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide
CID 103882622
2-[4-(1,3-benzodioxol-4-ylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119181952
2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 79348889

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide (CID 61212849) is 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide is Nc1cccc(C(=O)NCc2cccc3c2OCO3)c1.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide?
The InChIKey is JZRQNWMINFHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-12-5-1-3-10(7-12)15(18)17-8-11-4-2-6-13-14(11)20-9-19-13/h1-7H,8-9,16H2,(H,17,18).
What are the key properties of 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide?
3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide is sourced from PubChem (CID 61212849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).