N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide

C15H15BrN2O2 — CID 43550066

IUPACN-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2N)cc1
InChIInChI=1S/C15H15BrN2O2/c1-9-7-11(16)8-13(17)14(9)18-15(19)10-3-5-12(20-2)6-4-10/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyCIWWROTWJUPITR-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.60
Rot. Bonds3

About N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide

N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide (PubChem CID 43550066) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
PubChem CID43550066
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2N)cc1
InChIInChI=1S/C15H15BrN2O2/c1-9-7-11(16)8-13(17)14(9)18-15(19)10-3-5-12(20-2)6-4-10/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyCIWWROTWJUPITR-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.60
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

N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
CID 62504551
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide (CID 43550066) is N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C)cc(Br)cc2N)cc1.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide?
The InChIKey is CIWWROTWJUPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-7-11(16)8-13(17)14(9)18-15(19)10-3-5-12(20-2)6-4-10/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide?
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 43550066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).