(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide

C15H19FN2O3 — CID 95739787

IUPAC(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-9(2)17-15(20)14-13(18(3)12(19)8-21-14)10-6-4-5-7-11(10)16/h4-7,9,13-14H,8H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyMVSWGLNIXIPMNM-KBPBESRZSA-N
MW294.33 g/mol
LogP1.25
Rot. Bonds3

About (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide

(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide (PubChem CID 95739787) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
PubChem CID95739787
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-9(2)17-15(20)14-13(18(3)12(19)8-21-14)10-6-4-5-7-11(10)16/h4-7,9,13-14H,8H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyMVSWGLNIXIPMNM-KBPBESRZSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-cyclohexyl-3-(2-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739795
(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739766
(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739760
3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 91954385
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739578
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
(2S,3R)-3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739769
(2S,3S)-3-(2-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-5-oxomorpholine-2-carboxamide
CID 95739849
(5R,6R)-6-(4-benzylpiperazine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
CID 95739747
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086982

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide (CID 95739787) is (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide is CC(C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1F.
What is the InChIKey of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is MVSWGLNIXIPMNM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9(2)17-15(20)14-13(18(3)12(19)8-21-14)10-6-4-5-7-11(10)16/h4-7,9,13-14H,8H2,1-3H3,(H,17,20)/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide?
(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 95739787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).