1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one

C16H18FN3O2 — CID 56815461

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCOC(c2ccc(F)cc2)C1)n1ccnc1
InChIInChI=1S/C16H18FN3O2/c1-12(20-7-6-18-11-20)16(21)19-8-9-22-15(10-19)13-2-4-14(17)5-3-13/h2-7,11-12,15H,8-10H2,1H3
InChIKeyODFBRSVCYOATLI-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.18
Rot. Bonds3

About 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 56815461) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID56815461
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCOC(c2ccc(F)cc2)C1)n1ccnc1
InChIInChI=1S/C16H18FN3O2/c1-12(20-7-6-18-11-20)16(21)19-8-9-22-15(10-19)13-2-4-14(17)5-3-13/h2-7,11-12,15H,8-10H2,1H3
InChIKeyODFBRSVCYOATLI-UHFFFAOYSA-N
XLogP2.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94021616
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511760
(2S)-2-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511763
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 71934061
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
(2R)-2-(4-fluorophenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031044
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one (CID 56815461) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one is CC(C(=O)N1CCOC(c2ccc(F)cc2)C1)n1ccnc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is ODFBRSVCYOATLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-12(20-7-6-18-11-20)16(21)19-8-9-22-15(10-19)13-2-4-14(17)5-3-13/h2-7,11-12,15H,8-10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one?
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 303.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 56815461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).