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

C20H18F2N4O4 — CID 58182070

IUPAC(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(F)c4)C3=O)ccc21
InChIInChI=1S/C20H18F2N4O4/c21-14-4-2-12(8-15(14)22)26-5-6-30-17(20(26)29)16(27)19(28)25-11-1-3-13-10(7-11)9-24-18(13)23/h1-4,7-8,16-17,27H,5-6,9H2,(H2,23,24)(H,25,28)/t16-,17-/m1/s1
InChIKeyFSSNNCQTEAXPRO-IAGOWNOFSA-N
MW416.38 g/mol
LogP0.92
Rot. Bonds4

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

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 58182070) 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-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID58182070
Molecular FormulaC20H18F2N4O4
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(F)c4)C3=O)ccc21
InChIInChI=1S/C20H18F2N4O4/c21-14-4-2-12(8-15(14)22)26-5-6-30-17(20(26)29)16(27)19(28)25-11-1-3-13-10(7-11)9-24-18(13)23/h1-4,7-8,16-17,27H,5-6,9H2,(H2,23,24)(H,25,28)/t16-,17-/m1/s1
InChIKeyFSSNNCQTEAXPRO-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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Related Compounds

N-(1-amino-3H-isoindol-5-yl)-2-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 76717115
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-(1-methyl-2-oxoquinolin-7-yl)-3-oxomorpholin-2-yl]acetamide
CID 58290388
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-2-yl]acetamide
CID 58181541
2-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]phenyl]acetic acid
CID 50997352
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-fluoro-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181441
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[1-(cyclopropylmethyl)-2-oxoquinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290622
methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
CID 75598241
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 67033797
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 50995758
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67032624

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 58182070) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(F)c4)C3=O)ccc21.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is FSSNNCQTEAXPRO-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H18F2N4O4/c21-14-4-2-12(8-15(14)22)26-5-6-30-17(20(26)29)16(27)19(28)25-11-1-3-13-10(7-11)9-24-18(13)23/h1-4,7-8,16-17,27H,5-6,9H2,(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-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-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-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58182070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).