3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione

C22H20ClN3O2 — CID 52943486

IUPAC3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1=C(NCCc2ccc(Cl)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C22H20ClN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3
InChIKeyXXPXVUFLZYULGC-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.67
Rot. Bonds5

About 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione

3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 52943486) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID52943486
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1=C(NCCc2ccc(Cl)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C22H20ClN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3
InChIKeyXXPXVUFLZYULGC-UHFFFAOYSA-N
XLogP3.67
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione
CID 24813898
(3R)-2-[2-(4-chlorophenyl)ethyl]-3-(2-methyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41235791
1-methyl-3-(2-methyl-1H-indol-3-yl)-4-[2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]pyrrole-2,5-dione
CID 70195646
3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11596060
3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11522357
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686
3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione
CID 166342350
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113086810
3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
CID 2791448

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 52943486) is 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione is Cc1[nH]c2ccccc2c1C1=C(NCCc2ccc(Cl)cc2)C(=O)N(C)C1=O.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is XXPXVUFLZYULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3.
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 393.87 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 52943486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).