6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one

C20H20Cl2N2O — CID 24950916

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
SMILESCC1CCCN1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H20Cl2N2O/c1-13-4-3-9-24(13)20(12-14-5-2-6-15(21)10-14)17-8-7-16(22)11-18(17)23-19(20)25/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,23,25)
InChIKeyLXDVGMXWQGUQKA-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.87
Rot. Bonds3

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one (PubChem CID 24950916) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
PubChem CID24950916
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
SMILESCC1CCCN1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H20Cl2N2O/c1-13-4-3-9-24(13)20(12-14-5-2-6-15(21)10-14)17-8-7-16(22)11-18(17)23-19(20)25/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,23,25)
InChIKeyLXDVGMXWQGUQKA-UHFFFAOYSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-(7-chloro-2,3,3a,7a-tetrahydroindol-1-yl)-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 70303789
(4-acetylpiperazin-1-yl) N-[1-[(3S)-6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-2-yl]carbamate
CID 68564259
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
CID 24950918
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-4-yl]amino]-N-cyclobutylacetamide
CID 68565549
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate
CID 68567017
1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide
CID 59703592
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate
CID 68561790
3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide
CID 11998894
1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid
CID 141199707
6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one
CID 24951077
6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
CID 143373595
6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one
CID 66991680

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one (CID 24950916) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one is CC1CCCN1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one?
The InChIKey is LXDVGMXWQGUQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-13-4-3-9-24(13)20(12-14-5-2-6-15(21)10-14)17-8-7-16(22)11-18(17)23-19(20)25/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,23,25).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one has a molecular weight of 375.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 24950916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).