3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione

C21H17ClN2O3 — CID 110581819

IUPAC3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
SMILESCn1cc(CCN2C(=O)C(O)=C(c3ccc(Cl)cc3)C2=O)c2ccccc21
InChIInChI=1S/C21H17ClN2O3/c1-23-12-14(16-4-2-3-5-17(16)23)10-11-24-20(26)18(19(25)21(24)27)13-6-8-15(22)9-7-13/h2-9,12,25H,10-11H2,1H3
InChIKeyBLFPIZGEAVWFMS-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione

3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione (PubChem CID 110581819) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
PubChem CID110581819
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
SMILESCn1cc(CCN2C(=O)C(O)=C(c3ccc(Cl)cc3)C2=O)c2ccccc21
InChIInChI=1S/C21H17ClN2O3/c1-23-12-14(16-4-2-3-5-17(16)23)10-11-24-20(26)18(19(25)21(24)27)13-6-8-15(22)9-7-13/h2-9,12,25H,10-11H2,1H3
InChIKeyBLFPIZGEAVWFMS-UHFFFAOYSA-N
XLogP3.71
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[2-(1-methylindol-3-yl)ethyl]-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110582482
3-ethylsulfanyl-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558563
3-chloro-4-(3,4-dimethoxyphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110583659
3-[2-hydroxyethyl(methyl)amino]-1-[2-(1-methylindol-3-yl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571697
3-(4-fluorophenyl)-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylsulfanylpyrrole-2,5-dione
CID 110543043
3-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110543041
3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110584827
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558554
3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110581863
1-(3-butoxypropyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581868
3-(4-chlorophenyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110581858
5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione
CID 101230766

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione (CID 110581819) is 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione is Cn1cc(CCN2C(=O)C(O)=C(c3ccc(Cl)cc3)C2=O)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
The InChIKey is BLFPIZGEAVWFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-23-12-14(16-4-2-3-5-17(16)23)10-11-24-20(26)18(19(25)21(24)27)13-6-8-15(22)9-7-13/h2-9,12,25H,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione has a molecular weight of 380.83 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 110581819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).