(2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

C22H21F2N3O3 — CID 59581300

IUPAC(2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(CC(=O)CNCc3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C22H21F2N3O3/c1-27-21(30)26-20(29)22(27)9-15-3-2-13(4-16(15)10-22)7-19(28)12-25-11-14-5-17(23)8-18(24)6-14/h2-6,8,25H,7,9-12H2,1H3,(H,26,29,30)/t22-/m0/s1
InChIKeyUEIXJPOQJLXDDO-QFIPXVFZSA-N
MW413.42 g/mol
LogP1.89
Rot. Bonds6

About (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

(2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (PubChem CID 59581300) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
PubChem CID59581300
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC Name(2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(CC(=O)CNCc3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C22H21F2N3O3/c1-27-21(30)26-20(29)22(27)9-15-3-2-13(4-16(15)10-22)7-19(28)12-25-11-14-5-17(23)8-18(24)6-14/h2-6,8,25H,7,9-12H2,1H3,(H,26,29,30)/t22-/m0/s1
InChIKeyUEIXJPOQJLXDDO-QFIPXVFZSA-N
XLogP1.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride
CID 173105900
2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
CID 25020208
2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 25144229
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
CID 45485654
N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]piperidin-1-ium-2-carboxamide
CID 59581333
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485687
(2S)-5-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
CID 148999720
1',5-dimethylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione;methyl N-benzyl-N-(2-oxopropyl)carbamate
CID 145495499
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)acetamide
CID 44563200
2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 10430413
1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589560

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (CID 59581300) is (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC(=O)[C@@]12Cc1ccc(CC(=O)CNCc3cc(F)cc(F)c3)cc1C2.
What is the InChIKey of (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is UEIXJPOQJLXDDO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c1-27-21(30)26-20(29)22(27)9-15-3-2-13(4-16(15)10-22)7-19(28)12-25-11-14-5-17(23)8-18(24)6-14/h2-6,8,25H,7,9-12H2,1H3,(H,26,29,30)/t22-/m0/s1.
What are the key properties of (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
(2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 413.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[3-[(3,5-difluorophenyl)methylamino]-2-oxopropyl]-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 59581300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).