3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione

C19H15ClN2O4 — CID 162371410

IUPAC3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C(O)C(C2(c3ccccc3)Nc3c(Cl)cccc3C2=O)C1=O
InChIInChI=1S/C19H15ClN2O4/c1-22-17(25)13(15(23)18(22)26)19(10-6-3-2-4-7-10)16(24)11-8-5-9-12(20)14(11)21-19/h2-9,13,15,21,23H,1H3
InChIKeyKFOWIMVNYRYTJL-UHFFFAOYSA-N
MW370.79 g/mol
LogP1.82
Rot. Bonds2

About 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione

3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione (PubChem CID 162371410) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione
PubChem CID162371410
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C(O)C(C2(c3ccccc3)Nc3c(Cl)cccc3C2=O)C1=O
InChIInChI=1S/C19H15ClN2O4/c1-22-17(25)13(15(23)18(22)26)19(10-6-3-2-4-7-10)16(24)11-8-5-9-12(20)14(11)21-19/h2-9,13,15,21,23H,1H3
InChIKeyKFOWIMVNYRYTJL-UHFFFAOYSA-N
XLogP1.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione
CID 175172136
3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione
CID 162371434
2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
CID 142745066
(9R,10R,14S)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione
CID 101124983
(9S,10S,14R)-12-methyl-9-phenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione
CID 11727355
3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
CID 131838489
1-ethyl-5-hydroxy-4,4-diphenylimidazolidin-2-one
CID 135293152
(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
CID 156789508
7-chloro-1H-indole-2,3-dione
CID 139078100
methyl (1R,3aR,6aR)-5-(4-methoxyphenyl)-4,6-dioxo-3,3-diphenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylate
CID 100911214
5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
CID 67456630
(3S,4R)-3-(2-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 94071375

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione (CID 162371410) is 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione is CN1C(=O)C(O)C(C2(c3ccccc3)Nc3c(Cl)cccc3C2=O)C1=O.
What is the InChIKey of 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione?
The InChIKey is KFOWIMVNYRYTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-22-17(25)13(15(23)18(22)26)19(10-6-3-2-4-7-10)16(24)11-8-5-9-12(20)14(11)21-19/h2-9,13,15,21,23H,1H3.
What are the key properties of 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione?
3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione has a molecular weight of 370.79 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 162371410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).