N-(4-aminophenyl)-2,6-dimethylbenzamide

C15H16N2O — CID 114025945

IUPACN-(4-aminophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)15(18)17-13-8-6-12(16)7-9-13/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyKKMHQGBSBICDGG-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.14
Rot. Bonds2

About N-(4-aminophenyl)-2,6-dimethylbenzamide

N-(4-aminophenyl)-2,6-dimethylbenzamide (PubChem CID 114025945) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,6-dimethylbenzamide
PubChem CID114025945
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(4-aminophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)15(18)17-13-8-6-12(16)7-9-13/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyKKMHQGBSBICDGG-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 61117390
2-amino-N-(4-ethylphenyl)-6-methylbenzamide
CID 16788782
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
CID 62301838
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(4-aminophenyl)-2,6-dimethylbenzamide (CID 114025945) is N-(4-aminophenyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2,6-dimethylbenzamide?
The InChIKey is KKMHQGBSBICDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)15(18)17-13-8-6-12(16)7-9-13/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-2,6-dimethylbenzamide?
N-(4-aminophenyl)-2,6-dimethylbenzamide 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 N-(4-aminophenyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 114025945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).