2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C25H24F5N5O4 — CID 118957992

IUPAC2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)[C@H](F)C[C@]21NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O
InChIInChI=1S/C25H24F5N5O4/c1-13(25(28,29)30)34(11-14-3-5-15(26)6-4-14)20(36)12-35-21(37)24(33-23(35)39)10-19(27)17-9-16(7-8-18(17)24)32-22(38)31-2/h3-9,13,19H,10-12H2,1-2H3,(H,33,39)(H2,31,32,38)/t13-,19+,24-/m0/s1
InChIKeyUFIVBCUMQRFLIJ-KBDMARMHSA-N
MW553.49 g/mol
LogP3.72
Rot. Bonds6

About 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 118957992) has the molecular formula C25H24F5N5O4 and a molecular weight of 553.49 g/mol. Its IUPAC name is 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID118957992
Molecular FormulaC25H24F5N5O4
Molecular Weight553.49 g/mol
Exact Mass553.17
IUPAC Name2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)[C@H](F)C[C@]21NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O
InChIInChI=1S/C25H24F5N5O4/c1-13(25(28,29)30)34(11-14-3-5-15(26)6-4-14)20(36)12-35-21(37)24(33-23(35)39)10-19(27)17-9-16(7-8-18(17)24)32-22(38)31-2/h3-9,13,19H,10-12H2,1-2H3,(H,33,39)(H2,31,32,38)/t13-,19+,24-/m0/s1
InChIKeyUFIVBCUMQRFLIJ-KBDMARMHSA-N
XLogP3.72
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide with MolForge

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485640
2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide
CID 45485677
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
N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4271164
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4690086
N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4875722
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 9978597
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 10340395
2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide
CID 118956914
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957416
methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate
CID 118957607
N-[(4-fluorophenyl)methyl]-2-[(3S)-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957807

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 118957992) is 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is CNC(=O)Nc1ccc2c(c1)[C@H](F)C[C@]21NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O.
What is the InChIKey of 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is UFIVBCUMQRFLIJ-KBDMARMHSA-N. The full InChI is InChI=1S/C25H24F5N5O4/c1-13(25(28,29)30)34(11-14-3-5-15(26)6-4-14)20(36)12-35-21(37)24(33-23(35)39)10-19(27)17-9-16(7-8-18(17)24)32-22(38)31-2/h3-9,13,19H,10-12H2,1-2H3,(H,33,39)(H2,31,32,38)/t13-,19+,24-/m0/s1.
What are the key properties of 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 553.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 118957992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).