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

C17H22ClN3O3 — CID 120932424

IUPAC(2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H22ClN3O3/c1-11-15(19-8-10-24-11)17(23)20(2)14-7-9-21(16(14)22)13-6-4-3-5-12(13)18/h3-6,11,14-15,19H,7-10H2,1-2H3/t11-,14?,15+/m1/s1
InChIKeyMFEUJZQWUORZPT-QTWGFKIWSA-N
MW351.83 g/mol
LogP1.28
Rot. Bonds3

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

(2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120932424) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120932424
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name(2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H22ClN3O3/c1-11-15(19-8-10-24-11)17(23)20(2)14-7-9-21(16(14)22)13-6-4-3-5-12(13)18/h3-6,11,14-15,19H,7-10H2,1-2H3/t11-,14?,15+/m1/s1
InChIKeyMFEUJZQWUORZPT-QTWGFKIWSA-N
XLogP1.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
CID 120932657
(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120632507
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119323451
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783362
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
4-(aminomethyl)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyloxane-4-carboxamide
CID 120932426
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
CID 124684318
9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990399
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
CID 119783358

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide (CID 120932424) is (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is MFEUJZQWUORZPT-QTWGFKIWSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-11-15(19-8-10-24-11)17(23)20(2)14-7-9-21(16(14)22)13-6-4-3-5-12(13)18/h3-6,11,14-15,19H,7-10H2,1-2H3/t11-,14?,15+/m1/s1.
What are the key properties of (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide?
(2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 120932424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).