4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid

C23H25Cl2NO3 — CID 70320059

IUPAC4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
SMILESCCCCC(CCC(=O)O)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C23H25Cl2NO3/c1-2-3-6-16(8-11-21(27)28)23(14-15-5-4-7-17(24)12-15)19-10-9-18(25)13-20(19)26-22(23)29/h4-5,7,9-10,12-13,16H,2-3,6,8,11,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyGKRYDEUBRVMRBT-UHFFFAOYSA-N
MW434.36 g/mol
LogP6.10
Rot. Bonds9

About 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid

4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid (PubChem CID 70320059) has the molecular formula C23H25Cl2NO3 and a molecular weight of 434.36 g/mol. Its IUPAC name is 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid.

Molecular Properties

Compound Name4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
PubChem CID70320059
Molecular FormulaC23H25Cl2NO3
Molecular Weight434.36 g/mol
Exact Mass433.12
IUPAC Name4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
SMILESCCCCC(CCC(=O)O)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C23H25Cl2NO3/c1-2-3-6-16(8-11-21(27)28)23(14-15-5-4-7-17(24)12-15)19-10-9-18(25)13-20(19)26-22(23)29/h4-5,7,9-10,12-13,16H,2-3,6,8,11,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyGKRYDEUBRVMRBT-UHFFFAOYSA-N
XLogP6.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
CID 141199660
2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
CID 68565540
3-[2-aminoethyl(butan-2-yl)amino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 68566776
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707
4-[[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclobutylcarbamoyl]-methylamino]piperidine-1-carboxylic acid
CID 68561960
6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
CID 143373595
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cycloheptylamino]acetic acid
CID 57479159
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-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
CID 24950916
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
CID 24950918
3-bromo-3-[(3-chlorophenyl)methyl]-6-methyl-1H-indol-2-one
CID 59703601

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid?
The IUPAC name of 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid (CID 70320059) is 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid.
What is the SMILES notation for 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid?
The canonical SMILES for 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid is CCCCC(CCC(=O)O)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid?
The InChIKey is GKRYDEUBRVMRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO3/c1-2-3-6-16(8-11-21(27)28)23(14-15-5-4-7-17(24)12-15)19-10-9-18(25)13-20(19)26-22(23)29/h4-5,7,9-10,12-13,16H,2-3,6,8,11,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid?
4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid has a molecular weight of 434.36 g/mol, XLogP of 6.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid is sourced from PubChem (CID 70320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).