N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide

C12H15BrN2O3 — CID 115191621

IUPACN'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide
SMILESCOc1c(C)c(C)c(Br)c(C)c1NC(=O)C(N)=O
InChIInChI=1S/C12H15BrN2O3/c1-5-6(2)10(18-4)9(7(3)8(5)13)15-12(17)11(14)16/h1-4H3,(H2,14,16)(H,15,17)
InChIKeyXOJZGVNDKYXFTO-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.81
Rot. Bonds2

About N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide

N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide (PubChem CID 115191621) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide
PubChem CID115191621
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide
SMILESCOc1c(C)c(C)c(Br)c(C)c1NC(=O)C(N)=O
InChIInChI=1S/C12H15BrN2O3/c1-5-6(2)10(18-4)9(7(3)8(5)13)15-12(17)11(14)16/h1-4H3,(H2,14,16)(H,15,17)
InChIKeyXOJZGVNDKYXFTO-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
CID 115194439
5-(5-bromo-2-methoxy-3,4,6-trimethylanilino)pentan-2-one
CID 115236291
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
CID 115216070
5-bromo-N-(chloromethyl)-2-methoxy-3,4,6-trimethylaniline
CID 115262775
N'-(4-methoxy-2,6-dimethylphenyl)oxamide
CID 22638433
5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide
CID 116827649
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)propanenitrile
CID 115129934
methyl 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)prop-2-enoate
CID 116843289
N'-(2-methoxy-3,5-dimethylphenyl)oxamide
CID 115191556
5-bromo-N-(3-chloropropyl)-2-methoxy-3,4,6-trimethylaniline
CID 115215467
(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
CID 115170804
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-sulfanylethanone
CID 116829936

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide?
The IUPAC name of N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide (CID 115191621) is N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide is COc1c(C)c(C)c(Br)c(C)c1NC(=O)C(N)=O.
What is the InChIKey of N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide?
The InChIKey is XOJZGVNDKYXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-5-6(2)10(18-4)9(7(3)8(5)13)15-12(17)11(14)16/h1-4H3,(H2,14,16)(H,15,17).
What are the key properties of N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide?
N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide has a molecular weight of 315.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 115191621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).