N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide

C15H14Br2N2O2 — CID 62504201

IUPACN-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-8-3-4-13(21-2)10(5-8)15(20)19-14-11(17)6-9(16)7-12(14)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLHXNVWKCLVJPPD-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.36
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide

N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide (PubChem CID 62504201) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
PubChem CID62504201
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-8-3-4-13(21-2)10(5-8)15(20)19-14-11(17)6-9(16)7-12(14)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLHXNVWKCLVJPPD-UHFFFAOYSA-N
XLogP4.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.36
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)-2-methoxy-5-methylbenzamide
CID 62504551
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
CID 65433208
N-(2-amino-4,6-dibromophenyl)-4-hydroxy-2-methylbenzamide
CID 107670590
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
CID 62874469
N-(2-amino-4-bromo-6-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 43549991
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide (CID 62504201) is N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is LHXNVWKCLVJPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-8-3-4-13(21-2)10(5-8)15(20)19-14-11(17)6-9(16)7-12(14)18/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide?
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 414.10 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62504201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).