(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide

C21H19F3N4O4 — CID 50995575

IUPAC(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccccc4C(F)(F)F)C3=O)ccc21
InChIInChI=1S/C21H19F3N4O4/c22-21(23,24)14-3-1-2-4-15(14)28-7-8-32-17(20(28)31)16(29)19(30)27-12-5-6-13-11(9-12)10-26-18(13)25/h1-6,9,16-17,29H,7-8,10H2,(H2,25,26)(H,27,30)/t16-,17-/m1/s1
InChIKeyOLGIPIOVDULFND-IAGOWNOFSA-N
MW448.40 g/mol
LogP1.66
Rot. Bonds4

About (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide (PubChem CID 50995575) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
PubChem CID50995575
Molecular FormulaC21H19F3N4O4
Molecular Weight448.40 g/mol
Exact Mass448.14
IUPAC Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccccc4C(F)(F)F)C3=O)ccc21
InChIInChI=1S/C21H19F3N4O4/c22-21(23,24)14-3-1-2-4-15(14)28-7-8-32-17(20(28)31)16(29)19(30)27-12-5-6-13-11(9-12)10-26-18(13)25/h1-6,9,16-17,29H,7-8,10H2,(H2,25,26)(H,27,30)/t16-,17-/m1/s1
InChIKeyOLGIPIOVDULFND-IAGOWNOFSA-N
XLogP1.66
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide (CID 50995575) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccccc4C(F)(F)F)C3=O)ccc21.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is OLGIPIOVDULFND-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c22-21(23,24)14-3-1-2-4-15(14)28-7-8-32-17(20(28)31)16(29)19(30)27-12-5-6-13-11(9-12)10-26-18(13)25/h1-6,9,16-17,29H,7-8,10H2,(H2,25,26)(H,27,30)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 448.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 50995575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).