(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione

C30H24F6N4O4 — CID 125117834

IUPAC(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCc2ccccc2C(F)(F)F)C(=O)N1c1ccc(N2C(=O)C[C@H](NCc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C30H24F6N4O4/c31-29(32,33)21-7-3-1-5-17(21)15-37-23-13-25(41)39(27(23)43)19-9-11-20(12-10-19)40-26(42)14-24(28(40)44)38-16-18-6-2-4-8-22(18)30(34,35)36/h1-12,23-24,37-38H,13-16H2/t23-,24-/m0/s1
InChIKeySNKDUKREFWHNLI-ZEQRLZLVSA-N
MW618.53 g/mol
LogP4.57
Rot. Bonds8

About (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione

(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione (PubChem CID 125117834) has the molecular formula C30H24F6N4O4 and a molecular weight of 618.53 g/mol. Its IUPAC name is (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione
PubChem CID125117834
Molecular FormulaC30H24F6N4O4
Molecular Weight618.53 g/mol
Exact Mass618.17
IUPAC Name(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCc2ccccc2C(F)(F)F)C(=O)N1c1ccc(N2C(=O)C[C@H](NCc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C30H24F6N4O4/c31-29(32,33)21-7-3-1-5-17(21)15-37-23-13-25(41)39(27(23)43)19-9-11-20(12-10-19)40-26(42)14-24(28(40)44)38-16-18-6-2-4-8-22(18)30(34,35)36/h1-12,23-24,37-38H,13-16H2/t23-,24-/m0/s1
InChIKeySNKDUKREFWHNLI-ZEQRLZLVSA-N
XLogP4.57
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.53
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
4-[2,5-dioxo-3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]benzoic acid
CID 43860704
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 1255523
1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
CID 566375
1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43826677
5-[2,5-dioxo-3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 43861018
[2-(4-fluorophenyl)-2-oxoethyl] 4-[3-[(2-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23099532
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione (CID 125117834) is (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione is O=C1C[C@H](NCc2ccccc2C(F)(F)F)C(=O)N1c1ccc(N2C(=O)C[C@H](NCc3ccccc3C(F)(F)F)C2=O)cc1.
What is the InChIKey of (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione?
The InChIKey is SNKDUKREFWHNLI-ZEQRLZLVSA-N. The full InChI is InChI=1S/C30H24F6N4O4/c31-29(32,33)21-7-3-1-5-17(21)15-37-23-13-25(41)39(27(23)43)19-9-11-20(12-10-19)40-26(42)14-24(28(40)44)38-16-18-6-2-4-8-22(18)30(34,35)36/h1-12,23-24,37-38H,13-16H2/t23-,24-/m0/s1.
What are the key properties of (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione?
(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione has a molecular weight of 618.53 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 125117834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).