5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide

C17H21N3O — CID 61089997

IUPAC5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(N)ccc2N(C)C)c1
InChIInChI=1S/C17H21N3O/c1-11-5-6-12(2)15(9-11)19-17(21)14-10-13(18)7-8-16(14)20(3)4/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyAHALALVGFFEZIT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide

5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide (PubChem CID 61089997) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
PubChem CID61089997
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(N)ccc2N(C)C)c1
InChIInChI=1S/C17H21N3O/c1-11-5-6-12(2)15(9-11)19-17(21)14-10-13(18)7-8-16(14)20(3)4/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyAHALALVGFFEZIT-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
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N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
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5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594537
5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide (CID 61089997) is 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide is Cc1ccc(C)c(NC(=O)c2cc(N)ccc2N(C)C)c1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide?
The InChIKey is AHALALVGFFEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-6-12(2)15(9-11)19-17(21)14-10-13(18)7-8-16(14)20(3)4/h5-10H,18H2,1-4H3,(H,19,21).
What are the key properties of 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide?
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 283.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 61089997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).