1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one

C20H17ClF3N3O3 — CID 122251907

IUPAC1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C20H17ClF3N3O3/c21-13-4-6-14(7-5-13)27-9-12(8-18(27)28)19(29)26-10-15(11-26)30-17-3-1-2-16(25-17)20(22,23)24/h1-7,12,15H,8-11H2
InChIKeyQRLOLEQDFKVRLU-UHFFFAOYSA-N
MW439.82 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one

1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122251907) has the molecular formula C20H17ClF3N3O3 and a molecular weight of 439.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID122251907
Molecular FormulaC20H17ClF3N3O3
Molecular Weight439.82 g/mol
Exact Mass439.09
IUPAC Name1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C20H17ClF3N3O3/c21-13-4-6-14(7-5-13)27-9-12(8-18(27)28)19(29)26-10-15(11-26)30-17-3-1-2-16(25-17)20(22,23)24/h1-7,12,15H,8-11H2
InChIKeyQRLOLEQDFKVRLU-UHFFFAOYSA-N
XLogP3.40
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247205
4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122248397
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
(4R)-4-[4-[(6-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97427086
(3-fluoro-4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252030
N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252087
(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806
3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one
CID 122251746
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one (CID 122251907) is 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QRLOLEQDFKVRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O3/c21-13-4-6-14(7-5-13)27-9-12(8-18(27)28)19(29)26-10-15(11-26)30-17-3-1-2-16(25-17)20(22,23)24/h1-7,12,15H,8-11H2.
What are the key properties of 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 439.82 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122251907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).