(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C18H17FN2O3 — CID 95738065

IUPAC(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17FN2O3/c1-21-15(22)11-24-17(16(21)12-6-3-2-4-7-12)18(23)20-14-9-5-8-13(19)10-14/h2-10,16-17H,11H2,1H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyVNROFVJLPCNPCZ-DLBZAZTESA-N
MW328.34 g/mol
LogP2.36
Rot. Bonds3

About (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 95738065) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID95738065
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17FN2O3/c1-21-15(22)11-24-17(16(21)12-6-3-2-4-7-12)18(23)20-14-9-5-8-13(19)10-14/h2-10,16-17H,11H2,1H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyVNROFVJLPCNPCZ-DLBZAZTESA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 139011170
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689485
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739933
(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
(2R,3R)-3-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457503
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 95738065) is (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN1C(=O)CO[C@@H](C(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is VNROFVJLPCNPCZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-21-15(22)11-24-17(16(21)12-6-3-2-4-7-12)18(23)20-14-9-5-8-13(19)10-14/h2-10,16-17H,11H2,1H3,(H,20,23)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 95738065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).