(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C20H18F2N4O4 — CID 58181646

IUPAC(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cc(F)cc(F)c4)C3=O)ccc21
InChIInChI=1S/C20H18F2N4O4/c21-11-6-12(22)8-14(7-11)26-3-4-30-17(20(26)29)16(27)19(28)25-13-1-2-15-10(5-13)9-24-18(15)23/h1-2,5-8,16-17,27H,3-4,9H2,(H2,23,24)(H,25,28)/t16-,17-/m1/s1
InChIKeyFVAUBTTXQCXXPC-IAGOWNOFSA-N
MW416.38 g/mol
LogP0.92
Rot. Bonds4

About (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 58181646) has the molecular formula C20H18F2N4O4 and a molecular weight of 416.38 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID58181646
Molecular FormulaC20H18F2N4O4
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cc(F)cc(F)c4)C3=O)ccc21
InChIInChI=1S/C20H18F2N4O4/c21-11-6-12(22)8-14(7-11)26-3-4-30-17(20(26)29)16(27)19(28)25-13-1-2-15-10(5-13)9-24-18(15)23/h1-2,5-8,16-17,27H,3-4,9H2,(H2,23,24)(H,25,28)/t16-,17-/m1/s1
InChIKeyFVAUBTTXQCXXPC-IAGOWNOFSA-N
XLogP0.92
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 50.92
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-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 58181646) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cc(F)cc(F)c4)C3=O)ccc21.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is FVAUBTTXQCXXPC-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H18F2N4O4/c21-11-6-12(22)8-14(7-11)26-3-4-30-17(20(26)29)16(27)19(28)25-13-1-2-15-10(5-13)9-24-18(15)23/h1-2,5-8,16-17,27H,3-4,9H2,(H2,23,24)(H,25,28)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 416.38 g/mol, XLogP of 0.92, 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-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58181646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).