(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

C18H23ClN2O3 — CID 96581204

IUPAC(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O
InChIInChI=1S/C18H23ClN2O3/c1-12(2)8-20-9-13(7-17(20)22)18(23)21-10-14(11-21)24-16-6-4-3-5-15(16)19/h3-6,12-14H,7-11H2,1-2H3/t13-/m0/s1
InChIKeySCPDANMKZRUZFO-ZDUSSCGKSA-N
MW350.85 g/mol
LogP2.43
Rot. Bonds5

About (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 96581204) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID96581204
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O
InChIInChI=1S/C18H23ClN2O3/c1-12(2)8-20-9-13(7-17(20)22)18(23)21-10-14(11-21)24-16-6-4-3-5-15(16)19/h3-6,12-14H,7-11H2,1-2H3/t13-/m0/s1
InChIKeySCPDANMKZRUZFO-ZDUSSCGKSA-N
XLogP2.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97209081
(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95710712
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97274809
(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97156288
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
(4S)-4-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97189532
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97274959
4-(3-ethynyl-3-fluoroazetidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 136559360

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 96581204) is (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O.
What is the InChIKey of (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is SCPDANMKZRUZFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-12(2)8-20-9-13(7-17(20)22)18(23)21-10-14(11-21)24-16-6-4-3-5-15(16)19/h3-6,12-14H,7-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 350.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 96581204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).