(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide

C14H18FN3O3 — CID 120928792

IUPAC(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O3/c1-9-13(16-6-7-21-9)14(20)17-8-12(19)18-11-4-2-10(15)3-5-11/h2-5,9,13,16H,6-8H2,1H3,(H,17,20)(H,18,19)/t9-,13+/m1/s1
InChIKeyMCUWXQJXWDHUAY-RNCFNFMXSA-N
MW295.31 g/mol
LogP0.26
Rot. Bonds4

About (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120928792) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120928792
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O3/c1-9-13(16-6-7-21-9)14(20)17-8-12(19)18-11-4-2-10(15)3-5-11/h2-5,9,13,16H,6-8H2,1H3,(H,17,20)(H,18,19)/t9-,13+/m1/s1
InChIKeyMCUWXQJXWDHUAY-RNCFNFMXSA-N
XLogP0.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide
CID 120918765
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120918693
(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride
CID 120940744
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120924153
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide (CID 120928792) is (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is MCUWXQJXWDHUAY-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-9-13(16-6-7-21-9)14(20)17-8-12(19)18-11-4-2-10(15)3-5-11/h2-5,9,13,16H,6-8H2,1H3,(H,17,20)(H,18,19)/t9-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120928792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).