2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

C13H18BrNO2 — CID 82952018

IUPAC2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccccc1Br)C(C)C
InChIInChI=1S/C13H18BrNO2/c1-10(2)15(8-9-17-3)13(16)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyCLJIAAJNKRBWDS-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.95
Rot. Bonds5

About 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (PubChem CID 82952018) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
PubChem CID82952018
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccccc1Br)C(C)C
InChIInChI=1S/C13H18BrNO2/c1-10(2)15(8-9-17-3)13(16)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyCLJIAAJNKRBWDS-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
2-bromo-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951741
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103988730
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one
CID 62630046
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (CID 82952018) is 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is COCCN(C(=O)c1ccccc1Br)C(C)C.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is CLJIAAJNKRBWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-10(2)15(8-9-17-3)13(16)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 82952018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).