5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide

C12H16BrNO2 — CID 116827649

IUPAC5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide
SMILESCNC(=O)c1c(C)c(Br)c(C)c(C)c1OC
InChIInChI=1S/C12H16BrNO2/c1-6-7(2)11(16-5)9(12(15)14-4)8(3)10(6)13/h1-5H3,(H,14,15)
InChIKeyDQVANKAREHUOST-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.74
Rot. Bonds2

About 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide

5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide (PubChem CID 116827649) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide
PubChem CID116827649
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide
SMILESCNC(=O)c1c(C)c(Br)c(C)c(C)c1OC
InChIInChI=1S/C12H16BrNO2/c1-6-7(2)11(16-5)9(12(15)14-4)8(3)10(6)13/h1-5H3,(H,14,15)
InChIKeyDQVANKAREHUOST-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)prop-2-enoate
CID 116843289
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-sulfanylethanone
CID 116829936
4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 69113007
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
CID 115194439
N'-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)oxamide
CID 115191621
(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
CID 115170804
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116847529
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide
CID 130778418
3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116848856
5-(5-bromo-2-methoxy-3,4,6-trimethylanilino)pentan-2-one
CID 115236291
methyl 2-bromo-3,4,5,6-tetramethylbenzoate
CID 617466

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide?
The IUPAC name of 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide (CID 116827649) is 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide?
The canonical SMILES for 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide is CNC(=O)c1c(C)c(Br)c(C)c(C)c1OC.
What is the InChIKey of 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide?
The InChIKey is DQVANKAREHUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-6-7(2)11(16-5)9(12(15)14-4)8(3)10(6)13/h1-5H3,(H,14,15).
What are the key properties of 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide?
5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide is sourced from PubChem (CID 116827649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).