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

C15H17N3O — CID 50880717

IUPAC4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-9-7-13(17)8-10(2)14(9)18-15(19)11-3-5-12(16)6-4-11/h3-8H,16-17H2,1-2H3,(H,18,19)
InChIKeyGFJNVCTUMOQWTF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.72
Rot. Bonds2

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

4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide (PubChem CID 50880717) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
PubChem CID50880717
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-9-7-13(17)8-10(2)14(9)18-15(19)11-3-5-12(16)6-4-11/h3-8H,16-17H2,1-2H3,(H,18,19)
InChIKeyGFJNVCTUMOQWTF-UHFFFAOYSA-N
XLogP2.72
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide
CID 107702239
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641222
4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide
CID 14842755
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide (CID 50880717) is 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide is Cc1cc(N)cc(C)c1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide?
The InChIKey is GFJNVCTUMOQWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-7-13(17)8-10(2)14(9)18-15(19)11-3-5-12(16)6-4-11/h3-8H,16-17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide?
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 50880717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).