2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone

C14H18BrFN2O2 — CID 71863180

IUPAC2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C14H18BrFN2O2/c1-17(9-11-2-3-12(15)13(16)8-11)10-14(19)18-4-6-20-7-5-18/h2-3,8H,4-7,9-10H2,1H3
InChIKeyOGKFRMZFOMCXCK-UHFFFAOYSA-N
MW345.21 g/mol
LogP1.88
Rot. Bonds4

About 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone

2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 71863180) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID71863180
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C14H18BrFN2O2/c1-17(9-11-2-3-12(15)13(16)8-11)10-14(19)18-4-6-20-7-5-18/h2-3,8H,4-7,9-10H2,1H3
InChIKeyOGKFRMZFOMCXCK-UHFFFAOYSA-N
XLogP1.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone (CID 71863180) is 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1ccc(Br)c(F)c1.
What is the InChIKey of 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is OGKFRMZFOMCXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-17(9-11-2-3-12(15)13(16)8-11)10-14(19)18-4-6-20-7-5-18/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone?
2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 345.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-fluorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 71863180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).