2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

C17H24ClFN2O3 — CID 55557091

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H24ClFN2O3/c1-12(2)16(21-5-7-23-8-6-21)10-20-17(22)11-24-13-3-4-15(19)14(18)9-13/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,20,22)
InChIKeyRXPFLJBBKLKWMB-UHFFFAOYSA-N
MW358.84 g/mol
LogP2.33
Rot. Bonds7

About 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (PubChem CID 55557091) has the molecular formula C17H24ClFN2O3 and a molecular weight of 358.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
PubChem CID55557091
Molecular FormulaC17H24ClFN2O3
Molecular Weight358.84 g/mol
Exact Mass358.15
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H24ClFN2O3/c1-12(2)16(21-5-7-23-8-6-21)10-20-17(22)11-24-13-3-4-15(19)14(18)9-13/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,20,22)
InChIKeyRXPFLJBBKLKWMB-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (CID 55557091) is 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is CC(C)C(CNC(=O)COc1ccc(F)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The InChIKey is RXPFLJBBKLKWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O3/c1-12(2)16(21-5-7-23-8-6-21)10-20-17(22)11-24-13-3-4-15(19)14(18)9-13/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide has a molecular weight of 358.84 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 55557091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).