2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid

C22H22FNO4 — CID 22399096

IUPAC2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C2=CCN(C(=O)c3ccc(F)cc3)CC2)cc1)C(=O)O
InChIInChI=1S/C22H22FNO4/c1-22(2,21(26)27)28-19-9-5-15(6-10-19)16-11-13-24(14-12-16)20(25)17-3-7-18(23)8-4-17/h3-11H,12-14H2,1-2H3,(H,26,27)
InChIKeyOJNYSPDWTPLYLY-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid

2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid (PubChem CID 22399096) has the molecular formula C22H22FNO4 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
PubChem CID22399096
Molecular FormulaC22H22FNO4
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C2=CCN(C(=O)c3ccc(F)cc3)CC2)cc1)C(=O)O
InChIInChI=1S/C22H22FNO4/c1-22(2,21(26)27)28-19-9-5-15(6-10-19)16-11-13-24(14-12-16)20(25)17-3-7-18(23)8-4-17/h3-11H,12-14H2,1-2H3,(H,26,27)
InChIKeyOJNYSPDWTPLYLY-UHFFFAOYSA-N
XLogP4.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3,5-ditert-butyl-4-hydroxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399126
2-[3-[1-(2,4-difluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399428
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
(2S)-2-amino-3-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanoic acid
CID 141178412
N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 86911291
propan-2-yl 2-[3-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]-2-methylpropanoate
CID 22399375
2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 112800392
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70769674
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097680
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid
CID 20994189
2-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid
CID 22399353

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid (CID 22399096) is 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(C2=CCN(C(=O)c3ccc(F)cc3)CC2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid?
The InChIKey is OJNYSPDWTPLYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4/c1-22(2,21(26)27)28-19-9-5-15(6-10-19)16-11-13-24(14-12-16)20(25)17-3-7-18(23)8-4-17/h3-11H,12-14H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid?
2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid has a molecular weight of 383.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 22399096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).