(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione

C17H15FN2O3 — CID 710370

IUPAC(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-12-8-6-11(7-9-12)19-14-10-16(21)20(17(14)22)15-5-3-2-4-13(15)18/h2-9,14,19H,10H2,1H3/t14-/m0/s1
InChIKeyAUQRKCJHEAFNAS-AWEZNQCLSA-N
MW314.32 g/mol
LogP2.58
Rot. Bonds4

About (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione

(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 710370) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID710370
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-12-8-6-11(7-9-12)19-14-10-16(21)20(17(14)22)15-5-3-2-4-13(15)18/h2-9,14,19H,10H2,1H3/t14-/m0/s1
InChIKeyAUQRKCJHEAFNAS-AWEZNQCLSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-methoxyanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1143831
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2230145
3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 138958737
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3R)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1143854
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4855046
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2877177
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 2058986

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (CID 710370) is (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is COc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is AUQRKCJHEAFNAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-12-8-6-11(7-9-12)19-14-10-16(21)20(17(14)22)15-5-3-2-4-13(15)18/h2-9,14,19H,10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 314.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 710370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).