2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

C21H24BrFN2O3 — CID 46453032

IUPAC2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H24BrFN2O3/c1-15(28-20-8-7-17(23)13-18(20)22)21(26)24(2)14-16-5-3-4-6-19(16)25-9-11-27-12-10-25/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyOMTRPJJCLGTTAP-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.85
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 46453032) has the molecular formula C21H24BrFN2O3 and a molecular weight of 451.34 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID46453032
Molecular FormulaC21H24BrFN2O3
Molecular Weight451.34 g/mol
Exact Mass450.10
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H24BrFN2O3/c1-15(28-20-8-7-17(23)13-18(20)22)21(26)24(2)14-16-5-3-4-6-19(16)25-9-11-27-12-10-25/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyOMTRPJJCLGTTAP-UHFFFAOYSA-N
XLogP3.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (CID 46453032) is 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is CC(Oc1ccc(F)cc1Br)C(=O)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is OMTRPJJCLGTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFN2O3/c1-15(28-20-8-7-17(23)13-18(20)22)21(26)24(2)14-16-5-3-4-6-19(16)25-9-11-27-12-10-25/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 451.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 46453032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).