(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

C19H19FN2O3 — CID 97457319

IUPAC(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)OCC(=O)N2C)cc1
InChIInChI=1S/C19H19FN2O3/c1-12-3-5-13(6-4-12)17-18(25-11-16(23)22(17)2)19(24)21-15-9-7-14(20)8-10-15/h3-10,17-18H,11H2,1-2H3,(H,21,24)/t17-,18-/m1/s1
InChIKeyOMWQUXLNWUNUAQ-QZTJIDSGSA-N
MW342.37 g/mol
LogP2.67
Rot. Bonds3

About (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 97457319) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID97457319
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)OCC(=O)N2C)cc1
InChIInChI=1S/C19H19FN2O3/c1-12-3-5-13(6-4-12)17-18(25-11-16(23)22(17)2)19(24)21-15-9-7-14(20)8-10-15/h3-10,17-18H,11H2,1-2H3,(H,21,24)/t17-,18-/m1/s1
InChIKeyOMWQUXLNWUNUAQ-QZTJIDSGSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-N-phenyl-1,3-oxazolidine-5-carboxamide
CID 71550116
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate
CID 5042356
N-(2-Fluoro-phenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-propionamide
CID 13653734
(5R)-5-benzyl-N-(4-fluorophenyl)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71728110
(5R)-5-benzyl-N-(3-fluorophenyl)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71728111
Ethyl 1-[3-(4-fluoroanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 4018333
[1-(4-Fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate
CID 118256641
US9789100, Example 17
CID 139208336
US9789100, Example 24
CID 139208342
US9789100, Example 25
CID 139208343
US9789100, Example 26
CID 139208344
3-{1-[methoxy(phenyl)acetyl]-4-piperidinyl}-N-phenylpropanamide
CID 24790612

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 97457319) is (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)OCC(=O)N2C)cc1.
What is the InChIKey of (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is OMWQUXLNWUNUAQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-3-5-13(6-4-12)17-18(25-11-16(23)22(17)2)19(24)21-15-9-7-14(20)8-10-15/h3-10,17-18H,11H2,1-2H3,(H,21,24)/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97457319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).