2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide

C12H16BrNO3 — CID 115772513

IUPAC2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCO)C(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3/c1-17-9-7-14(6-8-15)12(16)10-4-2-3-5-11(10)13/h2-5,15H,6-9H2,1H3
InChIKeyAYTFMGUSQOWOKF-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.53
Rot. Bonds6

About 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide

2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide (PubChem CID 115772513) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
PubChem CID115772513
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCO)C(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3/c1-17-9-7-14(6-8-15)12(16)10-4-2-3-5-11(10)13/h2-5,15H,6-9H2,1H3
InChIKeyAYTFMGUSQOWOKF-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902215
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
2-bromo-N,N-dibutylbenzamide
CID 2843235
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 113468052
methyl 2-[[(2-bromobenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766856
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide (CID 115772513) is 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide is COCCN(CCO)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The InChIKey is AYTFMGUSQOWOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-17-9-7-14(6-8-15)12(16)10-4-2-3-5-11(10)13/h2-5,15H,6-9H2,1H3.
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide has a molecular weight of 302.17 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 115772513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).