4-amino-N-(2,6-dimethylphenyl)benzamide

C15H16N2O — CID 13086

IUPAC4-amino-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyHZIWGOAXOBPQGY-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.14
Rot. Bonds2

About 4-amino-N-(2,6-dimethylphenyl)benzamide

4-amino-N-(2,6-dimethylphenyl)benzamide (PubChem CID 13086) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dimethylphenyl)benzamide
PubChem CID13086
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyHZIWGOAXOBPQGY-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 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 ≤ 53.14
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 4-amino-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-amino-N-(2,6-dimethylphenyl)benzamide (CID 13086) is 4-amino-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(2,6-dimethylphenyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is HZIWGOAXOBPQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2,6-dimethylphenyl)benzamide?
4-amino-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 240.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 13086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).