N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide

C16H17BrN2O2 — CID 116813686

IUPACN-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2c(N)cc(C)cc2Br)ccc1C
InChIInChI=1S/C16H17BrN2O2/c1-9-6-12(17)15(13(18)7-9)19-16(20)11-5-4-10(2)14(8-11)21-3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyPOXNCGBUVIYOQA-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.91
Rot. Bonds3

About N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide

N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide (PubChem CID 116813686) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
PubChem CID116813686
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2c(N)cc(C)cc2Br)ccc1C
InChIInChI=1S/C16H17BrN2O2/c1-9-6-12(17)15(13(18)7-9)19-16(20)11-5-4-10(2)14(8-11)21-3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyPOXNCGBUVIYOQA-UHFFFAOYSA-N
XLogP3.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.91
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

4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide (CID 116813686) is N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2c(N)cc(C)cc2Br)ccc1C.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is POXNCGBUVIYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-9-6-12(17)15(13(18)7-9)19-16(20)11-5-4-10(2)14(8-11)21-3/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide?
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 116813686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).