N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide

C13H17BrFNO3 — CID 110924172

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide
SMILESCOCCC(=O)N(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO3/c1-19-7-4-13(18)16(5-6-17)9-10-8-11(14)2-3-12(10)15/h2-3,8,17H,4-7,9H2,1H3
InChIKeyYDIJMTRWTKQSKL-UHFFFAOYSA-N
MW334.19 g/mol
LogP1.95
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide (PubChem CID 110924172) has the molecular formula C13H17BrFNO3 and a molecular weight of 334.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide
PubChem CID110924172
Molecular FormulaC13H17BrFNO3
Molecular Weight334.19 g/mol
Exact Mass333.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide
SMILESCOCCC(=O)N(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO3/c1-19-7-4-13(18)16(5-6-17)9-10-8-11(14)2-3-12(10)15/h2-3,8,17H,4-7,9H2,1H3
InChIKeyYDIJMTRWTKQSKL-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide (CID 110924172) is N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide is COCCC(=O)N(CCO)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide?
The InChIKey is YDIJMTRWTKQSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3/c1-19-7-4-13(18)16(5-6-17)9-10-8-11(14)2-3-12(10)15/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide has a molecular weight of 334.19 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide is sourced from PubChem (CID 110924172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).