1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid

C24H16Cl2N2O3 — CID 141199707

IUPAC1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C24H16Cl2N2O3/c25-16-6-3-4-14(10-16)13-24(18-9-8-17(26)12-19(18)27-23(24)31)28-20-7-2-1-5-15(20)11-21(28)22(29)30/h1-12H,13H2,(H,27,31)(H,29,30)
InChIKeyDEGYGDDSWAEQKJ-UHFFFAOYSA-N
MW451.31 g/mol
LogP5.58
Rot. Bonds4

About 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid

1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid (PubChem CID 141199707) has the molecular formula C24H16Cl2N2O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid
PubChem CID141199707
Molecular FormulaC24H16Cl2N2O3
Molecular Weight451.31 g/mol
Exact Mass450.05
IUPAC Name1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C24H16Cl2N2O3/c25-16-6-3-4-14(10-16)13-24(18-9-8-17(26)12-19(18)27-23(24)31)28-20-7-2-1-5-15(20)11-21(28)22(29)30/h1-12H,13H2,(H,27,31)(H,29,30)
InChIKeyDEGYGDDSWAEQKJ-UHFFFAOYSA-N
XLogP5.58
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide
CID 59703592
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
CID 24950918
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
CID 24950916
6-chloro-3-(7-chloro-2,3,3a,7a-tetrahydroindol-1-yl)-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 70303789
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate
CID 68567017
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-4-yl]amino]-N-cyclobutylacetamide
CID 68565549
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one
CID 24951077
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
(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
1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
CID 22310949
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-(2-morpholin-4-ylethyl)carbamate
CID 68561790

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid?
The IUPAC name of 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid (CID 141199707) is 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid.
What is the SMILES notation for 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid?
The canonical SMILES for 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid is O=C(O)c1cc2ccccc2n1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid?
The InChIKey is DEGYGDDSWAEQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O3/c25-16-6-3-4-14(10-16)13-24(18-9-8-17(26)12-19(18)27-23(24)31)28-20-7-2-1-5-15(20)11-21(28)22(29)30/h1-12H,13H2,(H,27,31)(H,29,30).
What are the key properties of 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid?
1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid has a molecular weight of 451.31 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid is sourced from PubChem (CID 141199707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).