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

C14H17FN2O4 — CID 97457517

IUPAC(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCCO)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c1-17-11(19)8-21-13(14(20)16-6-7-18)12(17)9-2-4-10(15)5-3-9/h2-5,12-13,18H,6-8H2,1H3,(H,16,20)/t12-,13+/m1/s1
InChIKeyRTAZPWRJFIJJEH-OLZOCXBDSA-N
MW296.30 g/mol
LogP-0.17
Rot. Bonds4

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

(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 97457517) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID97457517
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCCO)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c1-17-11(19)8-21-13(14(20)16-6-7-18)12(17)9-2-4-10(15)5-3-9/h2-5,12-13,18H,6-8H2,1H3,(H,16,20)/t12-,13+/m1/s1
InChIKeyRTAZPWRJFIJJEH-OLZOCXBDSA-N
XLogP-0.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457578
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 91954491
(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,3S)-N-butyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457343
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 91957461
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 97457517) is (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NCCO)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is RTAZPWRJFIJJEH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-17-11(19)8-21-13(14(20)16-6-7-18)12(17)9-2-4-10(15)5-3-9/h2-5,12-13,18H,6-8H2,1H3,(H,16,20)/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 296.30 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97457517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).