(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione

C19H17ClN2O3 — CID 1078959

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCc3ccccc32)C1=O
InChIInChI=1S/C19H17ClN2O3/c1-25-17-7-6-13(20)10-15(17)22-18(23)11-16(19(22)24)21-9-8-12-4-2-3-5-14(12)21/h2-7,10,16H,8-9,11H2,1H3/t16-/m1/s1
InChIKeySXYVZRDQJKHAOX-MRXNPFEDSA-N
MW356.81 g/mol
LogP3.04
Rot. Bonds3

About (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione

(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione (PubChem CID 1078959) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
PubChem CID1078959
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCc3ccccc32)C1=O
InChIInChI=1S/C19H17ClN2O3/c1-25-17-7-6-13(20)10-15(17)22-18(23)11-16(19(22)24)21-9-8-12-4-2-3-5-14(12)21/h2-7,10,16H,8-9,11H2,1H3/t16-/m1/s1
InChIKeySXYVZRDQJKHAOX-MRXNPFEDSA-N
XLogP3.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 3152007
3-(2,3-dihydroindol-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 3152006
3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
(3S)-1-(2-chlorophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidine-2,5-dione
CID 30467864
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidine-2,5-dione
CID 17483005
(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1182440
(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1369612
1-(2-methoxyphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220404
(3R)-1-(2,4-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2107844
ethyl (3S)-1-[(3S)-1-(5-chloro-2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 6598694
(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione
CID 1422426
3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 43995729

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione (CID 1078959) is (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione is COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCc3ccccc32)C1=O.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is SXYVZRDQJKHAOX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-25-17-7-6-13(20)10-15(17)22-18(23)11-16(19(22)24)21-9-8-12-4-2-3-5-14(12)21/h2-7,10,16H,8-9,11H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione?
(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 356.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1078959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).