5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide

C13H18BrNO3 — CID 113351116

IUPAC5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCN(CCO)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H18BrNO3/c1-10-3-4-11(14)9-12(10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyNWBAOHSTIOWTNW-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.84
Rot. Bonds6

About 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide

5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide (PubChem CID 113351116) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
PubChem CID113351116
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCN(CCO)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H18BrNO3/c1-10-3-4-11(14)9-12(10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyNWBAOHSTIOWTNW-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
4-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113468064
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide (CID 113351116) is 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide is COCCN(CCO)C(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
The InChIKey is NWBAOHSTIOWTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-10-3-4-11(14)9-12(10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide has a molecular weight of 316.19 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 113351116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).