(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one

C18H23FN2O3 — CID 98672593

IUPAC(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)OC[C@H]3C)CC2=O)c(F)c1
InChIInChI=1S/C18H23FN2O3/c1-11-4-5-16(15(19)6-11)21-9-14(7-17(21)22)18(23)20-8-13(3)24-10-12(20)2/h4-6,12-14H,7-10H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyVSYYNWVMJMQDSN-MGPQQGTHSA-N
MW334.39 g/mol
LogP2.12
Rot. Bonds2

About (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one

(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one (PubChem CID 98672593) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
PubChem CID98672593
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)OC[C@H]3C)CC2=O)c(F)c1
InChIInChI=1S/C18H23FN2O3/c1-11-4-5-16(15(19)6-11)21-9-14(7-17(21)22)18(23)20-8-13(3)24-10-12(20)2/h4-6,12-14H,7-10H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyVSYYNWVMJMQDSN-MGPQQGTHSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 126794386
1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
N-(2,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686200
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
N-(4-chlorophenyl)-4-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepane-1-carboxamide
CID 95349825
tert-butyl N-[2-[[(3S)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 52536326
1-(2-fluoro-4-methylphenyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56522164

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one (CID 98672593) is (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)OC[C@H]3C)CC2=O)c(F)c1.
What is the InChIKey of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is VSYYNWVMJMQDSN-MGPQQGTHSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-11-4-5-16(15(19)6-11)21-9-14(7-17(21)22)18(23)20-8-13(3)24-10-12(20)2/h4-6,12-14H,7-10H2,1-3H3/t12-,13-,14-/m1/s1.
What are the key properties of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one?
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 334.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 98672593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).