5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide

C16H18BrN3O — CID 82744970

IUPAC5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
SMILESCc1ccc(Br)c(NC(=O)c2cc(N)ccc2N(C)C)c1
InChIInChI=1S/C16H18BrN3O/c1-10-4-6-13(17)14(8-10)19-16(21)12-9-11(18)5-7-15(12)20(2)3/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyGIQVOLYGSNCRSO-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.66
Rot. Bonds3

About 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide

5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide (PubChem CID 82744970) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
PubChem CID82744970
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
SMILESCc1ccc(Br)c(NC(=O)c2cc(N)ccc2N(C)C)c1
InChIInChI=1S/C16H18BrN3O/c1-10-4-6-13(17)14(8-10)19-16(21)12-9-11(18)5-7-15(12)20(2)3/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyGIQVOLYGSNCRSO-UHFFFAOYSA-N
XLogP3.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.66
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

5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide
CID 61095320
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022
5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
CID 61090008
5-amino-2-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61091290
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 91683062

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide (CID 82744970) is 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide is Cc1ccc(Br)c(NC(=O)c2cc(N)ccc2N(C)C)c1.
What is the InChIKey of 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide?
The InChIKey is GIQVOLYGSNCRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10-4-6-13(17)14(8-10)19-16(21)12-9-11(18)5-7-15(12)20(2)3/h4-9H,18H2,1-3H3,(H,19,21).
What are the key properties of 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide?
5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide has a molecular weight of 348.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide is sourced from PubChem (CID 82744970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).