4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide

C31H27F4N3O5 — CID 122459937

IUPAC4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide
SMILESCc1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)ccc1C(N)=O
InChIInChI=1S/C31H27F4N3O5/c1-17-13-20(5-9-24(17)27(36)40)21-6-10-25-22(14-21)11-12-30(25)28(41)38(29(42)43-30)16-26(39)37(18(2)31(33,34)35)15-19-3-7-23(32)8-4-19/h3-10,13-14,18H,11-12,15-16H2,1-2H3,(H2,36,40)/t18-,30+/m0/s1
InChIKeyADHKTDIJJDUAPE-YVGXBJCXSA-N
MW597.57 g/mol
LogP5.00
Rot. Bonds7

About 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide

4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide (PubChem CID 122459937) has the molecular formula C31H27F4N3O5 and a molecular weight of 597.57 g/mol. Its IUPAC name is 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide
PubChem CID122459937
Molecular FormulaC31H27F4N3O5
Molecular Weight597.57 g/mol
Exact Mass597.19
IUPAC Name4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide
SMILESCc1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)ccc1C(N)=O
InChIInChI=1S/C31H27F4N3O5/c1-17-13-20(5-9-24(17)27(36)40)21-6-10-25-22(14-21)11-12-30(25)28(41)38(29(42)43-30)16-26(39)37(18(2)31(33,34)35)15-19-3-7-23(32)8-4-19/h3-10,13-14,18H,11-12,15-16H2,1-2H3,(H2,36,40)/t18-,30+/m0/s1
InChIKeyADHKTDIJJDUAPE-YVGXBJCXSA-N
XLogP5.00
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.57
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide with MolForge

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Related Compounds

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
2-[(3R)-6-(2,4-difluoro-3-pyridinyl)-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 122460320
N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957784
2-[(3R)-6-acetamido-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 118957128
2-[(3R)-6-(2,2-dimethylhydrazinyl)-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 166938628
2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 118957502
N-acetyl-2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 122460114
2-[(3R)-6-(5-carbamoyliminocyclohexa-1,3-dien-1-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
CID 134327364
N-[(4-fluorophenyl)methyl]-2-[(3S)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
CID 171904153
2-[(3R)-6-(cyclopentylmethylamino)-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 118958146
N-[3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
CID 118957797

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide?
The IUPAC name of 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide (CID 122459937) is 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide?
The canonical SMILES for 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide is Cc1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)ccc1C(N)=O.
What is the InChIKey of 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide?
The InChIKey is ADHKTDIJJDUAPE-YVGXBJCXSA-N. The full InChI is InChI=1S/C31H27F4N3O5/c1-17-13-20(5-9-24(17)27(36)40)21-6-10-25-22(14-21)11-12-30(25)28(41)38(29(42)43-30)16-26(39)37(18(2)31(33,34)35)15-19-3-7-23(32)8-4-19/h3-10,13-14,18H,11-12,15-16H2,1-2H3,(H2,36,40)/t18-,30+/m0/s1.
What are the key properties of 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide?
4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide has a molecular weight of 597.57 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methylbenzamide is sourced from PubChem (CID 122459937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).