2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide

C25H24BrFN2O4 — CID 118957683

IUPAC2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(Br)ccc32)C1=O
InChIInChI=1S/C25H24BrFN2O4/c1-15(17-4-5-17)28(13-16-2-7-20(27)8-3-16)22(30)14-29-23(31)25(33-24(29)32)11-10-18-12-19(26)6-9-21(18)25/h2-3,6-9,12,15,17H,4-5,10-11,13-14H2,1H3
InChIKeyPRMCJJDPVFWLOP-UHFFFAOYSA-N
MW515.38 g/mol
LogP4.54
Rot. Bonds6

About 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 118957683) has the molecular formula C25H24BrFN2O4 and a molecular weight of 515.38 g/mol. Its IUPAC name is 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID118957683
Molecular FormulaC25H24BrFN2O4
Molecular Weight515.38 g/mol
Exact Mass514.09
IUPAC Name2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(Br)ccc32)C1=O
InChIInChI=1S/C25H24BrFN2O4/c1-15(17-4-5-17)28(13-16-2-7-20(27)8-3-16)22(30)14-29-23(31)25(33-24(29)32)11-10-18-12-19(26)6-9-21(18)25/h2-3,6-9,12,15,17H,4-5,10-11,13-14H2,1H3
InChIKeyPRMCJJDPVFWLOP-UHFFFAOYSA-N
XLogP4.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 118956944
2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957280
2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 134327492
2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118956782
2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118956971
(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 118958317
(2R)-2-amino-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]propanamide
CID 118958233
2-[6-(benzhydrylideneamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957113
2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 134327296
2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 122460098
2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylacetamide
CID 118956946
2-(7-bromo-2',4'-dioxospiro[1,3-dihydroisochromene-4,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118958219

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 118957683) is 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide is CC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(Br)ccc32)C1=O.
What is the InChIKey of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PRMCJJDPVFWLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrFN2O4/c1-15(17-4-5-17)28(13-16-2-7-20(27)8-3-16)22(30)14-29-23(31)25(33-24(29)32)11-10-18-12-19(26)6-9-21(18)25/h2-3,6-9,12,15,17H,4-5,10-11,13-14H2,1H3.
What are the key properties of 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 515.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 118957683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).