[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone

C23H21FN2O3 — CID 74234077

IUPAC[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(-c2ccc(OCc3ccccc3)c(F)c2)c1)N1CCOCC1
InChIInChI=1S/C23H21FN2O3/c24-20-14-18(6-7-22(20)29-16-17-4-2-1-3-5-17)21-15-19(8-9-25-21)23(27)26-10-12-28-13-11-26/h1-9,14-15H,10-13,16H2
InChIKeyJNOORKNUGMLOED-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.94
Rot. Bonds5

About [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone

[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 74234077) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID74234077
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(-c2ccc(OCc3ccccc3)c(F)c2)c1)N1CCOCC1
InChIInChI=1S/C23H21FN2O3/c24-20-14-18(6-7-22(20)29-16-17-4-2-1-3-5-17)21-15-19(8-9-25-21)23(27)26-10-12-28-13-11-26/h1-9,14-15H,10-13,16H2
InChIKeyJNOORKNUGMLOED-UHFFFAOYSA-N
XLogP3.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
CID 56993724
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone
CID 159065235
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
(3-iodo-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 172647558

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone (CID 74234077) is [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccnc(-c2ccc(OCc3ccccc3)c(F)c2)c1)N1CCOCC1.
What is the InChIKey of [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is JNOORKNUGMLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-20-14-18(6-7-22(20)29-16-17-4-2-1-3-5-17)21-15-19(8-9-25-21)23(27)26-10-12-28-13-11-26/h1-9,14-15H,10-13,16H2.
What are the key properties of [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 392.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 74234077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).