2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

C21H24BrFN2O3 — CID 55905798

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H24BrFN2O3/c1-15(28-20-7-4-17(23)14-19(20)22)21(26)24-18-5-2-16(3-6-18)8-9-25-10-12-27-13-11-25/h2-7,14-15H,8-13H2,1H3,(H,24,26)
InChIKeyINBAQASWNAEIKD-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.87
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (PubChem CID 55905798) has the molecular formula C21H24BrFN2O3 and a molecular weight of 451.34 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
PubChem CID55905798
Molecular FormulaC21H24BrFN2O3
Molecular Weight451.34 g/mol
Exact Mass450.10
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H24BrFN2O3/c1-15(28-20-7-4-17(23)14-19(20)22)21(26)24-18-5-2-16(3-6-18)8-9-25-10-12-27-13-11-25/h2-7,14-15H,8-13H2,1H3,(H,24,26)
InChIKeyINBAQASWNAEIKD-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55906965
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
2-(2-bromo-4-fluorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55693983
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
ethyl 3-[4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]phenyl]prop-2-enoate
CID 55686063
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 43077928
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 47040606
2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47041388
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (CID 55905798) is 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is CC(Oc1ccc(F)cc1Br)C(=O)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The InChIKey is INBAQASWNAEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFN2O3/c1-15(28-20-7-4-17(23)14-19(20)22)21(26)24-18-5-2-16(3-6-18)8-9-25-10-12-27-13-11-25/h2-7,14-15H,8-13H2,1H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide has a molecular weight of 451.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is sourced from PubChem (CID 55905798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).