N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide

C15H14N2O3 — CID 43330066

IUPACN-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-9-3-2-4-11(16)14(9)17-15(18)10-5-6-12-13(7-10)20-8-19-12/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyPDTLSCHAAIKHQP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.56
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide

N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 43330066) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID43330066
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-9-3-2-4-11(16)14(9)17-15(18)10-5-6-12-13(7-10)20-8-19-12/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyPDTLSCHAAIKHQP-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'}

Analyze N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43548108
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 23992808
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
N-[4-[(2-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982029
N-(2-amino-6-methylphenyl)-6-methylpyridine-3-carboxamide
CID 43152306
N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide (CID 43330066) is N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide is Cc1cccc(N)c1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is PDTLSCHAAIKHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-3-2-4-11(16)14(9)17-15(18)10-5-6-12-13(7-10)20-8-19-12/h2-7H,8,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide 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 N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 43330066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).