(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione

C18H14FN3O4 — CID 1422426

IUPAC(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCc3ccccc32)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14FN3O4/c19-13-6-5-12(9-15(13)22(25)26)21-17(23)10-16(18(21)24)20-8-7-11-3-1-2-4-14(11)20/h1-6,9,16H,7-8,10H2/t16-/m0/s1
InChIKeyGAIOFRAZATTZFY-INIZCTEOSA-N
MW355.33 g/mol
LogP2.43
Rot. Bonds3

About (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione

(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 1422426) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID1422426
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCc3ccccc32)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14FN3O4/c19-13-6-5-12(9-15(13)22(25)26)21-17(23)10-16(18(21)24)20-8-7-11-3-1-2-4-14(11)20/h1-6,9,16H,7-8,10H2/t16-/m0/s1
InChIKeyGAIOFRAZATTZFY-INIZCTEOSA-N
XLogP2.43
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 680139
3-(2,3-dihydroindol-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 3152006
1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 3152007
(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 1078959
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7279287
(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 30468032
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
CID 2783302
(3R)-1-[4-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione
CID 99736666
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]piperidine-2,6-dione
CID 4526050
(3aS,7aS)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98365141
(3S)-1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitrophenyl]-3-phenylpyrrolidine-2,5-dione
CID 98365151

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione (CID 1422426) is (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](N2CCc3ccccc32)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is GAIOFRAZATTZFY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14FN3O4/c19-13-6-5-12(9-15(13)22(25)26)21-17(23)10-16(18(21)24)20-8-7-11-3-1-2-4-14(11)20/h1-6,9,16H,7-8,10H2/t16-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione?
(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 355.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1422426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).