(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide

C14H16F3N3O3 — CID 120918765

IUPAC(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H16F3N3O3/c1-7-13(18-4-5-23-7)14(22)19-6-10(21)20-9-3-2-8(15)11(16)12(9)17/h2-3,7,13,18H,4-6H2,1H3,(H,19,22)(H,20,21)/t7-,13+/m1/s1
InChIKeyTZSBZDHWGDPGNS-UHLUBPPHSA-N
MW331.29 g/mol
LogP0.54
Rot. Bonds4

About (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide (PubChem CID 120918765) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide
PubChem CID120918765
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H16F3N3O3/c1-7-13(18-4-5-23-7)14(22)19-6-10(21)20-9-3-2-8(15)11(16)12(9)17/h2-3,7,13,18H,4-6H2,1H3,(H,19,22)(H,20,21)/t7-,13+/m1/s1
InChIKeyTZSBZDHWGDPGNS-UHLUBPPHSA-N
XLogP0.54
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792
(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120924153
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120919267
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931537
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide (CID 120918765) is (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide?
The InChIKey is TZSBZDHWGDPGNS-UHLUBPPHSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-7-13(18-4-5-23-7)14(22)19-6-10(21)20-9-3-2-8(15)11(16)12(9)17/h2-3,7,13,18H,4-6H2,1H3,(H,19,22)(H,20,21)/t7-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120918765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).