1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one

C24H23FN2O2 — CID 110609353

IUPAC1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
SMILESO=C(C(Cc1cccnc1)c1ccccc1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C24H23FN2O2/c25-22-11-5-4-10-20(22)23-17-27(13-14-29-23)24(28)21(19-8-2-1-3-9-19)15-18-7-6-12-26-16-18/h1-12,16,21,23H,13-15,17H2
InChIKeyQGTCNFBPYXSMHF-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.15
Rot. Bonds5

About 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one

1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one (PubChem CID 110609353) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
PubChem CID110609353
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
SMILESO=C(C(Cc1cccnc1)c1ccccc1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C24H23FN2O2/c25-22-11-5-4-10-20(22)23-17-27(13-14-29-23)24(28)21(19-8-2-1-3-9-19)15-18-7-6-12-26-16-18/h1-12,16,21,23H,13-15,17H2
InChIKeyQGTCNFBPYXSMHF-UHFFFAOYSA-N
XLogP4.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one (CID 110609353) is 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one is O=C(C(Cc1cccnc1)c1ccccc1)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
The InChIKey is QGTCNFBPYXSMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-22-11-5-4-10-20(22)23-17-27(13-14-29-23)24(28)21(19-8-2-1-3-9-19)15-18-7-6-12-26-16-18/h1-12,16,21,23H,13-15,17H2.
What are the key properties of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one has a molecular weight of 390.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110609353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).