2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one

C13H16ClFN2O2 — CID 43385605

IUPAC2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1cc(Cl)ccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-12-8-10(14)2-3-11(12)15/h2-3,8-9,16H,4-7H2,1H3
InChIKeyVAPHZCFMTFPIGU-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.14
Rot. Bonds3

About 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one

2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 43385605) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID43385605
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1cc(Cl)ccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-12-8-10(14)2-3-11(12)15/h2-3,8-9,16H,4-7H2,1H3
InChIKeyVAPHZCFMTFPIGU-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.14
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-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 103579849
(2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 2514517
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
1-(azepan-1-yl)-2-(5-bromo-2-fluoroanilino)propan-1-one
CID 43555646
2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112689350
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one (CID 43385605) is 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one is CC(Nc1cc(Cl)ccc1F)C(=O)N1CCOCC1.
What is the InChIKey of 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is VAPHZCFMTFPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-12-8-10(14)2-3-11(12)15/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 286.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43385605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).