3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide

C16H24BrNO2 — CID 104852335

IUPAC3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-5-15(6-2)18(7-8-20-4)16(19)13-9-12(3)10-14(17)11-13/h9-11,15H,5-8H2,1-4H3
InChIKeyAQGMFGJZTDBTJL-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.03
Rot. Bonds7

About 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide

3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide (PubChem CID 104852335) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
PubChem CID104852335
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-5-15(6-2)18(7-8-20-4)16(19)13-9-12(3)10-14(17)11-13/h9-11,15H,5-8H2,1-4H3
InChIKeyAQGMFGJZTDBTJL-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 113222390
3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 104852655
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-carboxamide
CID 60792621
3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 55970006
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
3-bromo-N-(2-chloroethyl)-5-fluoro-N-pentan-3-ylbenzamide
CID 55188004
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide (CID 104852335) is 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide?
The InChIKey is AQGMFGJZTDBTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-5-15(6-2)18(7-8-20-4)16(19)13-9-12(3)10-14(17)11-13/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide?
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide has a molecular weight of 342.28 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 104852335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).