2-amino-6-methyl-3-(4-methylphenyl)benzamide

C15H16N2O — CID 18428316

IUPAC2-amino-6-methyl-3-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C)c(C(N)=O)c2N)cc1
InChIInChI=1S/C15H16N2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14(12)16)15(17)18/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeyPQUMYHYYOMTHCV-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds2

About 2-amino-6-methyl-3-(4-methylphenyl)benzamide

2-amino-6-methyl-3-(4-methylphenyl)benzamide (PubChem CID 18428316) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-6-methyl-3-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-3-(4-methylphenyl)benzamide
PubChem CID18428316
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-amino-6-methyl-3-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C)c(C(N)=O)c2N)cc1
InChIInChI=1S/C15H16N2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14(12)16)15(17)18/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeyPQUMYHYYOMTHCV-UHFFFAOYSA-N
XLogP2.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-3-(4-methylphenyl)benzamide?
The IUPAC name of 2-amino-6-methyl-3-(4-methylphenyl)benzamide (CID 18428316) is 2-amino-6-methyl-3-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-3-(4-methylphenyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-3-(4-methylphenyl)benzamide is Cc1ccc(-c2ccc(C)c(C(N)=O)c2N)cc1.
What is the InChIKey of 2-amino-6-methyl-3-(4-methylphenyl)benzamide?
The InChIKey is PQUMYHYYOMTHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14(12)16)15(17)18/h3-8H,16H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-6-methyl-3-(4-methylphenyl)benzamide?
2-amino-6-methyl-3-(4-methylphenyl)benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-3-(4-methylphenyl)benzamide is sourced from PubChem (CID 18428316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).