2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one

C13H15BrF2N2O2 — CID 43347734

IUPAC2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1c(F)cc(F)cc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H15BrF2N2O2/c1-8(13(19)18-2-4-20-5-3-18)17-12-10(14)6-9(15)7-11(12)16/h6-8,17H,2-5H2,1H3
InChIKeyKWLBMNVXRUQRGQ-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one

2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 43347734) has the molecular formula C13H15BrF2N2O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID43347734
Molecular FormulaC13H15BrF2N2O2
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1c(F)cc(F)cc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H15BrF2N2O2/c1-8(13(19)18-2-4-20-5-3-18)17-12-10(14)6-9(15)7-11(12)16/h6-8,17H,2-5H2,1H3
InChIKeyKWLBMNVXRUQRGQ-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 103579849
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 115898996
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one (CID 43347734) is 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one is CC(Nc1c(F)cc(F)cc1Br)C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is KWLBMNVXRUQRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2/c1-8(13(19)18-2-4-20-5-3-18)17-12-10(14)6-9(15)7-11(12)16/h6-8,17H,2-5H2,1H3.
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one?
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 349.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43347734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).