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

C21H19F3N4O4 — CID 58181916

IUPAC(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(C(F)(F)F)c4)C3=O)ccc21
InChIInChI=1S/C21H19F3N4O4/c22-21(23,24)12-2-1-3-14(9-12)28-6-7-32-17(20(28)31)16(29)19(30)27-13-4-5-15-11(8-13)10-26-18(15)25/h1-5,8-9,16-17,29H,6-7,10H2,(H2,25,26)(H,27,30)/t16-,17-/m1/s1
InChIKeyVPUDNDNRSCNSBR-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-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide (PubChem CID 58181916) 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-[3-(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-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
PubChem CID58181916
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-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(C(F)(F)F)c4)C3=O)ccc21
InChIInChI=1S/C21H19F3N4O4/c22-21(23,24)12-2-1-3-14(9-12)28-6-7-32-17(20(28)31)16(29)19(30)27-13-4-5-15-11(8-13)10-26-18(15)25/h1-5,8-9,16-17,29H,6-7,10H2,(H2,25,26)(H,27,30)/t16-,17-/m1/s1
InChIKeyVPUDNDNRSCNSBR-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-[3-(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-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide (CID 58181916) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(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-[3-(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-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(C(F)(F)F)c4)C3=O)ccc21.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is VPUDNDNRSCNSBR-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c22-21(23,24)12-2-1-3-14(9-12)28-6-7-32-17(20(28)31)16(29)19(30)27-13-4-5-15-11(8-13)10-26-18(15)25/h1-5,8-9,16-17,29H,6-7,10H2,(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-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(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-[3-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 58181916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).