2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione

C29H23F7N4O4 — CID 99662138

IUPAC2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCC1(C)[C@H](n2oc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F
InChIInChI=1S/C29H23F7N4O4/c1-27(2)23(40-25(42)39(26(43)44-40)21-11-6-9-19(16-21)29(34,35)36)38(20-10-5-8-18(15-20)28(31,32)33)24(41)37(27)14-13-17-7-3-4-12-22(17)30/h3-12,15-16,23H,13-14H2,1-2H3/t23-/m0/s1
InChIKeyRPLLGDZEJFCJFH-QHCPKHFHSA-N
MW624.51 g/mol
LogP6.23
Rot. Bonds6

About 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione

2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 99662138) has the molecular formula C29H23F7N4O4 and a molecular weight of 624.51 g/mol. Its IUPAC name is 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID99662138
Molecular FormulaC29H23F7N4O4
Molecular Weight624.51 g/mol
Exact Mass624.16
IUPAC Name2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCC1(C)[C@H](n2oc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F
InChIInChI=1S/C29H23F7N4O4/c1-27(2)23(40-25(42)39(26(43)44-40)21-11-6-9-19(16-21)29(34,35)36)38(20-10-5-8-18(15-20)28(31,32)33)24(41)37(27)14-13-17-7-3-4-12-22(17)30/h3-12,15-16,23H,13-14H2,1-2H3/t23-/m0/s1
InChIKeyRPLLGDZEJFCJFH-QHCPKHFHSA-N
XLogP6.23
TPSA80.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.51
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione (CID 99662138) is 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione is CC1(C)[C@H](n2oc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F.
What is the InChIKey of 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is RPLLGDZEJFCJFH-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H23F7N4O4/c1-27(2)23(40-25(42)39(26(43)44-40)21-11-6-9-19(16-21)29(34,35)36)38(20-10-5-8-18(15-20)28(31,32)33)24(41)37(27)14-13-17-7-3-4-12-22(17)30/h3-12,15-16,23H,13-14H2,1-2H3/t23-/m0/s1.
What are the key properties of 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 624.51 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 99662138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).