2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid

C19H15F3N2O4 — CID 18775533

IUPAC2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H15F3N2O4/c20-19(21,22)13-3-1-2-4-15(13)24-16(25)10-14(18(24)28)23-12-7-5-11(6-8-12)9-17(26)27/h1-8,14,23H,9-10H2,(H,26,27)
InChIKeyVUOAPGDPFPBZJO-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid

2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid (PubChem CID 18775533) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid
PubChem CID18775533
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H15F3N2O4/c20-19(21,22)13-3-1-2-4-15(13)24-16(25)10-14(18(24)28)23-12-7-5-11(6-8-12)9-17(26)27/h1-8,14,23H,9-10H2,(H,26,27)
InChIKeyVUOAPGDPFPBZJO-UHFFFAOYSA-N
XLogP3.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid (CID 18775533) is 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1.
What is the InChIKey of 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid?
The InChIKey is VUOAPGDPFPBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c20-19(21,22)13-3-1-2-4-15(13)24-16(25)10-14(18(24)28)23-12-7-5-11(6-8-12)9-17(26)27/h1-8,14,23H,9-10H2,(H,26,27).
What are the key properties of 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid?
2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid has a molecular weight of 392.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 18775533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).