(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

C21H21ClN2O3 — CID 97274809

IUPAC(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESO=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C21H21ClN2O3/c22-18-8-4-5-9-19(18)27-17-12-24(13-17)21(26)14-23-11-16(10-20(23)25)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2/t16-/m0/s1
InChIKeyWNZSOBNYKDKWAR-INIZCTEOSA-N
MW384.86 g/mol
LogP2.95
Rot. Bonds5

About (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (PubChem CID 97274809) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
PubChem CID97274809
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESO=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C21H21ClN2O3/c22-18-8-4-5-9-19(18)27-17-12-24(13-17)21(26)14-23-11-16(10-20(23)25)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2/t16-/m0/s1
InChIKeyWNZSOBNYKDKWAR-INIZCTEOSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 91837974
(4R)-1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 124854698
1-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-3-oxopropyl]azepan-2-one
CID 70756717
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281698
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)pyrrolidin-2-one;but-2-enedioic acid
CID 70359716
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
(4S)-1-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 26350127
(4R)-1-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 26350124

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (CID 97274809) is (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is O=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CC(Oc2ccccc2Cl)C1.
What is the InChIKey of (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is WNZSOBNYKDKWAR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c22-18-8-4-5-9-19(18)27-17-12-24(13-17)21(26)14-23-11-16(10-20(23)25)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2/t16-/m0/s1.
What are the key properties of (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 384.86 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 97274809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).