methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate

C25H25F5N4O5 — CID 87355182

IUPACmethyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1cc(F)ccc1CN1C(=O)N(c2c(F)c(C)c(F)c(F)c2F)C(=O)C1(C)C
InChIInChI=1S/C25H25F5N4O5/c1-11-15(27)17(29)18(30)19(16(11)28)34-20(35)25(4,5)33(23(34)38)10-12-7-8-13(26)9-14(12)31-22(37)32-24(2,3)21(36)39-6/h7-9H,10H2,1-6H3,(H2,31,32,37)
InChIKeyAZPAZTGBCUMYHM-UHFFFAOYSA-N
MW556.49 g/mol
LogP4.51
Rot. Bonds6

About methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate

methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate (PubChem CID 87355182) has the molecular formula C25H25F5N4O5 and a molecular weight of 556.49 g/mol. Its IUPAC name is methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate
PubChem CID87355182
Molecular FormulaC25H25F5N4O5
Molecular Weight556.49 g/mol
Exact Mass556.17
IUPAC Namemethyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1cc(F)ccc1CN1C(=O)N(c2c(F)c(C)c(F)c(F)c2F)C(=O)C1(C)C
InChIInChI=1S/C25H25F5N4O5/c1-11-15(27)17(29)18(30)19(16(11)28)34-20(35)25(4,5)33(23(34)38)10-12-7-8-13(26)9-14(12)31-22(37)32-24(2,3)21(36)39-6/h7-9H,10H2,1-6H3,(H2,31,32,37)
InChIKeyAZPAZTGBCUMYHM-UHFFFAOYSA-N
XLogP4.51
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate
CID 58360661
1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate
CID 143842938
1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 59384224
methyl 4-[3-[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]-2-oxopropyl]benzoate
CID 58171773
tert-butyl [4-[4-[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]anilino]phenyl]-3-oxopiperazin-1-yl] carbonate
CID 68763127
1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 58154385
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
CID 30876031
3-[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]anilino]benzenesulfonamide
CID 91125338
1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 58171761
1-[(2-bromophenyl)methyl]-5,5-dimethyl-3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 68679299
2-[(2,4-difluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899612
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
CID 30876006

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate (CID 87355182) is methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)Nc1cc(F)ccc1CN1C(=O)N(c2c(F)c(C)c(F)c(F)c2F)C(=O)C1(C)C.
What is the InChIKey of methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate?
The InChIKey is AZPAZTGBCUMYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F5N4O5/c1-11-15(27)17(29)18(30)19(16(11)28)34-20(35)25(4,5)33(23(34)38)10-12-7-8-13(26)9-14(12)31-22(37)32-24(2,3)21(36)39-6/h7-9H,10H2,1-6H3,(H2,31,32,37).
What are the key properties of methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate?
methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate has a molecular weight of 556.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[5,5-dimethyl-2,4-dioxo-3-(2,3,4,6-tetrafluoro-5-methylphenyl)imidazolidin-1-yl]methyl]-5-fluorophenyl]carbamoylamino]-2-methylpropanoate is sourced from PubChem (CID 87355182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).