(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide

C17H22ClN3O3 — CID 7548675

IUPAC(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C[C@@H](C)O1
InChIInChI=1S/C17H22ClN3O3/c1-11-8-20(9-12(2)24-11)17(23)19-14-7-16(22)21(10-14)15-5-3-13(18)4-6-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,19,23)/t11-,12-,14-/m1/s1
InChIKeyCWZDAQMKAXYEAG-YRGRVCCFSA-N
MW351.83 g/mol
LogP2.26
Rot. Bonds2

About (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 7548675) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID7548675
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C[C@@H](C)O1
InChIInChI=1S/C17H22ClN3O3/c1-11-8-20(9-12(2)24-11)17(23)19-14-7-16(22)21(10-14)15-5-3-13(18)4-6-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,19,23)/t11-,12-,14-/m1/s1
InChIKeyCWZDAQMKAXYEAG-YRGRVCCFSA-N
XLogP2.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7548682
1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7215119
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7549116
(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
CID 124606255
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106609
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 7244149
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43971221
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide (CID 7548675) is (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is CWZDAQMKAXYEAG-YRGRVCCFSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-11-8-20(9-12(2)24-11)17(23)19-14-7-16(22)21(10-14)15-5-3-13(18)4-6-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,19,23)/t11-,12-,14-/m1/s1.
What are the key properties of (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 7548675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).