5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide

C18H20BrNO2 — CID 123151118

IUPAC5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide
SMILESCOCc1ccc(C)c(NC(=O)c2cc(Br)ccc2C)c1C
InChIInChI=1S/C18H20BrNO2/c1-11-6-8-15(19)9-16(11)18(21)20-17-12(2)5-7-14(10-22-4)13(17)3/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyUYECNGVEKNZYBJ-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.77
Rot. Bonds4

About 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide

5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide (PubChem CID 123151118) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide
PubChem CID123151118
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide
SMILESCOCc1ccc(C)c(NC(=O)c2cc(Br)ccc2C)c1C
InChIInChI=1S/C18H20BrNO2/c1-11-6-8-15(19)9-16(11)18(21)20-17-12(2)5-7-14(10-22-4)13(17)3/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyUYECNGVEKNZYBJ-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 65307125
5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
CID 65307383
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
5-bromo-N-(1-hydroxy-4-methoxybutan-2-yl)-2-methylbenzamide
CID 114210719
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide (CID 123151118) is 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide is COCc1ccc(C)c(NC(=O)c2cc(Br)ccc2C)c1C.
What is the InChIKey of 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide?
The InChIKey is UYECNGVEKNZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-11-6-8-15(19)9-16(11)18(21)20-17-12(2)5-7-14(10-22-4)13(17)3/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide?
5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide is sourced from PubChem (CID 123151118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).