2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide

C15H15BrN2O — CID 79721752

IUPAC2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1N(C)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H15BrN2O/c1-10-5-3-4-6-14(10)18(2)15(19)12-8-7-11(16)9-13(12)17/h3-9H,17H2,1-2H3
InChIKeySTXMMZDOJSXDIN-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.62
Rot. Bonds2

About 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide

2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide (PubChem CID 79721752) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
PubChem CID79721752
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1N(C)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H15BrN2O/c1-10-5-3-4-6-14(10)18(2)15(19)12-8-7-11(16)9-13(12)17/h3-9H,17H2,1-2H3
InChIKeySTXMMZDOJSXDIN-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79986290
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
5-amino-2-methoxy-N-methyl-N-(2-methylphenyl)benzamide
CID 62002550
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide (CID 79721752) is 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide is Cc1ccccc1N(C)C(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide?
The InChIKey is STXMMZDOJSXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-5-3-4-6-14(10)18(2)15(19)12-8-7-11(16)9-13(12)17/h3-9H,17H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide?
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 79721752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).