2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid

C18H15FN2O4 — CID 4855046

IUPAC2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC2CC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C18H15FN2O4/c19-13-3-1-2-4-15(13)21-16(22)10-14(18(21)25)20-12-7-5-11(6-8-12)9-17(23)24/h1-8,14,20H,9-10H2,(H,23,24)
InChIKeyIFIPOUGJLREWMC-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.20
Rot. Bonds5

About 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid

2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid (PubChem CID 4855046) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
PubChem CID4855046
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC2CC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C18H15FN2O4/c19-13-3-1-2-4-15(13)21-16(22)10-14(18(21)25)20-12-7-5-11(6-8-12)9-17(23)24/h1-8,14,20H,9-10H2,(H,23,24)
InChIKeyIFIPOUGJLREWMC-UHFFFAOYSA-N
XLogP2.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]phenyl]acetic acid
CID 18775533
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 138958737
2-[4-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4852443
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
(3R)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1143854
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
2-[4-[3-(2-bromoanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43860790
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 98524929
2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43860803
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid (CID 4855046) is 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC2CC(=O)N(c3ccccc3F)C2=O)cc1.
What is the InChIKey of 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid?
The InChIKey is IFIPOUGJLREWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-13-3-1-2-4-15(13)21-16(22)10-14(18(21)25)20-12-7-5-11(6-8-12)9-17(23)24/h1-8,14,20H,9-10H2,(H,23,24).
What are the key properties of 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid?
2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid has a molecular weight of 342.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 4855046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).