1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one

C16H19ClN2O3 — CID 42863491

IUPAC1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(C(=O)N3CCOCC3)C2=O)ccc1Cl
InChIInChI=1S/C16H19ClN2O3/c1-11-10-12(2-3-14(11)17)19-5-4-13(16(19)21)15(20)18-6-8-22-9-7-18/h2-3,10,13H,4-9H2,1H3
InChIKeyYUFLPGPKUKVMHW-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one

1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 42863491) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID42863491
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(C(=O)N3CCOCC3)C2=O)ccc1Cl
InChIInChI=1S/C16H19ClN2O3/c1-11-10-12(2-3-14(11)17)19-5-4-13(16(19)21)15(20)18-6-8-22-9-7-18/h2-3,10,13H,4-9H2,1H3
InChIKeyYUFLPGPKUKVMHW-UHFFFAOYSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 124695032
1-(3,5-dimethylphenyl)-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166193469
1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402342
1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide
CID 51124677
1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 42863485
2-[(2S)-4-[(3R)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125134124
(3S)-4-[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125150923
1-(3,4-dichlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 86896761
1-(4-methoxy-3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 54964622
(3S)-3-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 124694739
(3S)-1-(4-chloro-3-fluorophenyl)-3-[[(2R)-4-morpholin-4-yl-4-oxobutan-2-yl]amino]pyrrolidin-2-one
CID 97333013
1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048595

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 42863491) is 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one is Cc1cc(N2CCC(C(=O)N3CCOCC3)C2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is YUFLPGPKUKVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11-10-12(2-3-14(11)17)19-5-4-13(16(19)21)15(20)18-6-8-22-9-7-18/h2-3,10,13H,4-9H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one?
1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 322.79 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42863491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).