(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide

C14H17FN2O3 — CID 97457525

IUPAC(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-16(2)14(19)13-12(17(3)11(18)8-20-13)9-4-6-10(15)7-5-9/h4-7,12-13H,8H2,1-3H3/t12-,13+/m1/s1
InChIKeyUHGPNSOSXONHTP-OLZOCXBDSA-N
MW280.30 g/mol
LogP0.81
Rot. Bonds2

About (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide (PubChem CID 97457525) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
PubChem CID97457525
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-16(2)14(19)13-12(17(3)11(18)8-20-13)9-4-6-10(15)7-5-9/h4-7,12-13H,8H2,1-3H3/t12-,13+/m1/s1
InChIKeyUHGPNSOSXONHTP-OLZOCXBDSA-N
XLogP0.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 5192579
Lateritin
CID 194215
Bassiatin
CID 10038289
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
(Z)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134140894
(3R,4S)-3-methoxy-1-methylsulfanyl-4-phenylazetidin-2-one
CID 9834446
(3r,6r)-3-Benzyl-6-isopropyl-4-methylmorpholine-2,5-dione
CID 10084008
(3R,6S)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
CID 10491648
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
2,4-Dibenzyl-morpholin-3-one
CID 10468932
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide (CID 97457525) is (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide is CN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide?
The InChIKey is UHGPNSOSXONHTP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-16(2)14(19)13-12(17(3)11(18)8-20-13)9-4-6-10(15)7-5-9/h4-7,12-13H,8H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97457525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).