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

C20H17BrF3N3O3 — CID 122250750

IUPAC1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C20H17BrF3N3O3/c21-13-3-1-4-14(8-13)27-9-12(7-17(27)28)19(29)26-10-15(11-26)30-18-16(20(22,23)24)5-2-6-25-18/h1-6,8,12,15H,7,9-11H2
InChIKeyDXRLOTRRZMYYKG-UHFFFAOYSA-N
MW484.27 g/mol
LogP3.51
Rot. Bonds4

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

1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122250750) has the molecular formula C20H17BrF3N3O3 and a molecular weight of 484.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID122250750
Molecular FormulaC20H17BrF3N3O3
Molecular Weight484.27 g/mol
Exact Mass483.04
IUPAC Name1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C20H17BrF3N3O3/c21-13-3-1-4-14(8-13)27-9-12(7-17(27)28)19(29)26-10-15(11-26)30-18-16(20(22,23)24)5-2-6-25-18/h1-6,8,12,15H,7,9-11H2
InChIKeyDXRLOTRRZMYYKG-UHFFFAOYSA-N
XLogP3.51
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122249987
1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636858
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251019
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
3-chloro-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250784
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122248397
1-adamantyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250775
1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 55661485

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one (CID 122250750) is 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CC(Oc2ncccc2C(F)(F)F)C1.
What is the InChIKey of 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DXRLOTRRZMYYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF3N3O3/c21-13-3-1-4-14(8-13)27-9-12(7-17(27)28)19(29)26-10-15(11-26)30-18-16(20(22,23)24)5-2-6-25-18/h1-6,8,12,15H,7,9-11H2.
What are the key properties of 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 484.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122250750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).