3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride

C15H19Cl2N3O — CID 50851045

IUPAC3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
SMILESCN(C)c1ccc(C(=O)Nc2ccccc2)cc1N.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-18(2)14-9-8-11(10-13(14)16)15(19)17-12-6-4-3-5-7-12;;/h3-10H,16H2,1-2H3,(H,17,19);2*1H
InChIKeyTYGGPQDOYQCTOO-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.43
Rot. Bonds3

About 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride

3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride (PubChem CID 50851045) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
PubChem CID50851045
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
SMILESCN(C)c1ccc(C(=O)Nc2ccccc2)cc1N.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-18(2)14-9-8-11(10-13(14)16)15(19)17-12-6-4-3-5-7-12;;/h3-10H,16H2,1-2H3,(H,17,19);2*1H
InChIKeyTYGGPQDOYQCTOO-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
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CID 61092127
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
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2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
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3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042477
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
CID 61104637
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
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3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
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3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride?
The IUPAC name of 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride (CID 50851045) is 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride is CN(C)c1ccc(C(=O)Nc2ccccc2)cc1N.Cl.Cl.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride?
The InChIKey is TYGGPQDOYQCTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c1-18(2)14-9-8-11(10-13(14)16)15(19)17-12-6-4-3-5-7-12;;/h3-10H,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride?
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride is sourced from PubChem (CID 50851045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).