5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide

C13H18BrNO2 — CID 115648997

IUPAC5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
SMILESCCOC(C)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H18BrNO2/c1-4-17-10(3)8-15-13(16)12-7-11(14)6-5-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeySORXWLRWYXPPKR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.91
Rot. Bonds5

About 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide

5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide (PubChem CID 115648997) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
PubChem CID115648997
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
SMILESCCOC(C)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H18BrNO2/c1-4-17-10(3)8-15-13(16)12-7-11(14)6-5-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeySORXWLRWYXPPKR-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
CID 115648993
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
2-amino-N-(2-ethoxypropyl)-5-hydroxybenzamide
CID 107076037
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide (CID 115648997) is 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide is CCOC(C)CNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide?
The InChIKey is SORXWLRWYXPPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-17-10(3)8-15-13(16)12-7-11(14)6-5-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide?
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide is sourced from PubChem (CID 115648997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).