2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one

C13H15Cl2FN2O2 — CID 103579849

IUPAC2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15Cl2FN2O2/c1-8(13(19)18-2-4-20-5-3-18)17-9-6-10(14)12(16)11(15)7-9/h6-8,17H,2-5H2,1H3
InChIKeyGEEZZWCFPPIDRU-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.79
Rot. Bonds3

About 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one

2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 103579849) has the molecular formula C13H15Cl2FN2O2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID103579849
Molecular FormulaC13H15Cl2FN2O2
Molecular Weight321.18 g/mol
Exact Mass320.05
IUPAC Name2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15Cl2FN2O2/c1-8(13(19)18-2-4-20-5-3-18)17-9-6-10(14)12(16)11(15)7-9/h6-8,17H,2-5H2,1H3
InChIKeyGEEZZWCFPPIDRU-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112689350
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 75520261

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one (CID 103579849) is 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one is CC(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is GEEZZWCFPPIDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O2/c1-8(13(19)18-2-4-20-5-3-18)17-9-6-10(14)12(16)11(15)7-9/h6-8,17H,2-5H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 321.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103579849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).