1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone

C25H22F2N2O4 — CID 159065235

IUPAC1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone
SMILESO=C(Cc1cccnc1F)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H22F2N2O4/c26-20-6-3-17(4-7-20)16-33-23-8-5-19(25(31)29-10-12-32-13-11-29)14-21(23)22(30)15-18-2-1-9-28-24(18)27/h1-9,14H,10-13,15-16H2
InChIKeyJYYWSPARDIUXHL-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.84
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone

1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone (PubChem CID 159065235) has the molecular formula C25H22F2N2O4 and a molecular weight of 452.46 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone
PubChem CID159065235
Molecular FormulaC25H22F2N2O4
Molecular Weight452.46 g/mol
Exact Mass452.15
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone
SMILESO=C(Cc1cccnc1F)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H22F2N2O4/c26-20-6-3-17(4-7-20)16-33-23-8-5-19(25(31)29-10-12-32-13-11-29)14-21(23)22(30)15-18-2-1-9-28-24(18)27/h1-9,14H,10-13,15-16H2
InChIKeyJYYWSPARDIUXHL-UHFFFAOYSA-N
XLogP3.84
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone
CID 158196410
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077
methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate
CID 67107388
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
CID 158832739
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
CID 17465828
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone (CID 159065235) is 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone is O=C(Cc1cccnc1F)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone?
The InChIKey is JYYWSPARDIUXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O4/c26-20-6-3-17(4-7-20)16-33-23-8-5-19(25(31)29-10-12-32-13-11-29)14-21(23)22(30)15-18-2-1-9-28-24(18)27/h1-9,14H,10-13,15-16H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone?
1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone has a molecular weight of 452.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 159065235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).