4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide

C16H17BrN2O2 — CID 104782360

IUPAC4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1N
InChIInChI=1S/C16H17BrN2O2/c1-9-6-12(17)7-10(2)15(9)19-16(20)11-4-5-13(18)14(8-11)21-3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyGIJMBTOYLGYUCX-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.91
Rot. Bonds3

About 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide

4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide (PubChem CID 104782360) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
PubChem CID104782360
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1N
InChIInChI=1S/C16H17BrN2O2/c1-9-6-12(17)7-10(2)15(9)19-16(20)11-4-5-13(18)14(8-11)21-3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyGIJMBTOYLGYUCX-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-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
CID 116813686
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide (CID 104782360) is 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1N.
What is the InChIKey of 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide?
The InChIKey is GIJMBTOYLGYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-9-6-12(17)7-10(2)15(9)19-16(20)11-4-5-13(18)14(8-11)21-3/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide?
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide 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 4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 104782360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).