2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone

C24H22F2N2O2 — CID 127250154

IUPAC2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(c2ccc(Cc3ccccc3F)cn2)C1
InChIInChI=1S/C24H22F2N2O2/c25-20-8-5-17(6-9-20)14-24(29)28-11-12-30-23(16-28)22-10-7-18(15-27-22)13-19-3-1-2-4-21(19)26/h1-10,15,23H,11-14,16H2
InChIKeyIGTRRIIJWVCIHG-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.09
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone

2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 127250154) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID127250154
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(c2ccc(Cc3ccccc3F)cn2)C1
InChIInChI=1S/C24H22F2N2O2/c25-20-8-5-17(6-9-20)14-24(29)28-11-12-30-23(16-28)22-10-7-18(15-27-22)13-19-3-1-2-4-21(19)26/h1-10,15,23H,11-14,16H2
InChIKeyIGTRRIIJWVCIHG-UHFFFAOYSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]-4-pyrimidin-2-ylmorpholine
CID 124943851
N-(2-fluorophenyl)-2-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127250139
2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112932
3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92616486
2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 170732205
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 92616693

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone (CID 127250154) is 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCOC(c2ccc(Cc3ccccc3F)cn2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is IGTRRIIJWVCIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/c25-20-8-5-17(6-9-20)14-24(29)28-11-12-30-23(16-28)22-10-7-18(15-27-22)13-19-3-1-2-4-21(19)26/h1-10,15,23H,11-14,16H2.
What are the key properties of 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 408.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 127250154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).