(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide

C16H20FN3O3 — CID 124684318

IUPAC(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
SMILESCN(C(=O)[C@@H]1COCCN1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H20FN3O3/c1-19(15(21)12-10-23-9-7-18-12)14-6-8-20(16(14)22)13-5-3-2-4-11(13)17/h2-5,12,14,18H,6-10H2,1H3/t12-,14-/m0/s1
InChIKeyLXDUBAUSOCNYRD-JSGCOSHPSA-N
MW321.35 g/mol
LogP0.38
Rot. Bonds3

About (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide

(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide (PubChem CID 124684318) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
PubChem CID124684318
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
SMILESCN(C(=O)[C@@H]1COCCN1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H20FN3O3/c1-19(15(21)12-10-23-9-7-18-12)14-6-8-20(16(14)22)13-5-3-2-4-11(13)17/h2-5,12,14,18H,6-10H2,1H3/t12-,14-/m0/s1
InChIKeyLXDUBAUSOCNYRD-JSGCOSHPSA-N
XLogP0.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.38
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
N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119792205
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
CID 119785285
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
CID 96527113
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119323451
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119785248
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785245
(2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
CID 120932424
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide (CID 124684318) is (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide is CN(C(=O)[C@@H]1COCCN1)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide?
The InChIKey is LXDUBAUSOCNYRD-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-19(15(21)12-10-23-9-7-18-12)14-6-8-20(16(14)22)13-5-3-2-4-11(13)17/h2-5,12,14,18H,6-10H2,1H3/t12-,14-/m0/s1.
What are the key properties of (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide?
(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 124684318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).