2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one

C13H16ClFN2O2 — CID 78907264

IUPAC2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccc(F)c(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-10-2-3-12(15)11(14)8-10/h2-3,8-9,16H,4-7H2,1H3
InChIKeyUORFDKLNUBMRJT-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.14
Rot. Bonds3

About 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one

2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 78907264) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID78907264
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccc(F)c(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-10-2-3-12(15)11(14)8-10/h2-3,8-9,16H,4-7H2,1H3
InChIKeyUORFDKLNUBMRJT-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

Analyze 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 103579849
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
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
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
lithium (2S)-2-(3-chloro-4-fluoroanilino)propanoate
CID 69119001
5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 75520261
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one (CID 78907264) is 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one is CC(Nc1ccc(F)c(Cl)c1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is UORFDKLNUBMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-10-2-3-12(15)11(14)8-10/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one?
2-(3-chloro-4-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-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 78907264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).