(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide

C14H17Cl2N3O3 — CID 120918693

IUPAC(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2N3O3/c1-8-13(17-4-5-22-8)14(21)18-7-12(20)19-11-6-9(15)2-3-10(11)16/h2-3,6,8,13,17H,4-5,7H2,1H3,(H,18,21)(H,19,20)/t8-,13+/m1/s1
InChIKeyJBZGJENTKYLUNI-OQPBUACISA-N
MW346.21 g/mol
LogP1.42
Rot. Bonds4

About (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120918693) has the molecular formula C14H17Cl2N3O3 and a molecular weight of 346.21 g/mol. Its IUPAC name is (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120918693
Molecular FormulaC14H17Cl2N3O3
Molecular Weight346.21 g/mol
Exact Mass345.06
IUPAC Name(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2N3O3/c1-8-13(17-4-5-22-8)14(21)18-7-12(20)19-11-6-9(15)2-3-10(11)16/h2-3,6,8,13,17H,4-5,7H2,1H3,(H,18,21)(H,19,20)/t8-,13+/m1/s1
InChIKeyJBZGJENTKYLUNI-OQPBUACISA-N
XLogP1.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]morpholine-3-carboxamide
CID 120918765
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792
(2R,3S)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylmorpholine-3-carboxamide
CID 120920403
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
CID 120942859
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683795
(3S)-6-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9090624
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide (CID 120918693) is (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is JBZGJENTKYLUNI-OQPBUACISA-N. The full InChI is InChI=1S/C14H17Cl2N3O3/c1-8-13(17-4-5-22-8)14(21)18-7-12(20)19-11-6-9(15)2-3-10(11)16/h2-3,6,8,13,17H,4-5,7H2,1H3,(H,18,21)(H,19,20)/t8-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 346.21 g/mol, XLogP of 1.42, 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-(2,5-dichloroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120918693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).