1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

C18H23ClN2O3 — CID 70741375

IUPAC1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O
InChIInChI=1S/C18H23ClN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-13(11-20)24-15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3
InChIKeyNJIYRWFPIATXNW-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.58
Rot. Bonds3

About 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70741375) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID70741375
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O
InChIInChI=1S/C18H23ClN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-13(11-20)24-15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3
InChIKeyNJIYRWFPIATXNW-UHFFFAOYSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97156288
(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97154166
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
CID 75483886
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 96577029
1-tert-butyl-4-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535415
(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97202403
(4S)-1-tert-butyl-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 97132856

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (CID 70741375) is 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)N1CC(C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NJIYRWFPIATXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-13(11-20)24-15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 350.85 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70741375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).