1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide

C28H23Cl2N3O2 — CID 59703592

IUPAC1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide
SMILESO=C(NC1CCC1)c1cc2ccccc2n1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C28H23Cl2N3O2/c29-19-7-3-5-17(13-19)16-28(22-12-11-20(30)15-23(22)32-27(28)35)33-24-10-2-1-6-18(24)14-25(33)26(34)31-21-8-4-9-21/h1-3,5-7,10-15,21H,4,8-9,16H2,(H,31,34)(H,32,35)
InChIKeyGRQIXBOBLTZPOY-UHFFFAOYSA-N
MW504.42 g/mol
LogP6.17
Rot. Bonds5

About 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide

1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide (PubChem CID 59703592) has the molecular formula C28H23Cl2N3O2 and a molecular weight of 504.42 g/mol. Its IUPAC name is 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide.

Molecular Properties

Compound Name1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide
PubChem CID59703592
Molecular FormulaC28H23Cl2N3O2
Molecular Weight504.42 g/mol
Exact Mass503.12
IUPAC Name1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide
SMILESO=C(NC1CCC1)c1cc2ccccc2n1C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C28H23Cl2N3O2/c29-19-7-3-5-17(13-19)16-28(22-12-11-20(30)15-23(22)32-27(28)35)33-24-10-2-1-6-18(24)14-25(33)26(34)31-21-8-4-9-21/h1-3,5-7,10-15,21H,4,8-9,16H2,(H,31,34)(H,32,35)
InChIKeyGRQIXBOBLTZPOY-UHFFFAOYSA-N
XLogP6.17
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.42
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide?
The IUPAC name of 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide (CID 59703592) is 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide.
What is the SMILES notation for 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide?
The canonical SMILES for 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide is O=C(NC1CCC1)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]-N-cyclobutylindole-2-carboxamide?
The InChIKey is GRQIXBOBLTZPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2N3O2/c29-19-7-3-5-17(13-19)16-28(22-12-11-20(30)15-23(22)32-27(28)35)33-24-10-2-1-6-18(24)14-25(33)26(34)31-21-8-4-9-21/h1-3,5-7,10-15,21H,4,8-9,16H2,(H,31,34)(H,32,35).
What are the key properties of 1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide?
1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-cyclobutylindole-2-carboxamide has a molecular weight of 504.42 g/mol, XLogP of 6.17, 5 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]-N-cyclobutylindole-2-carboxamide is sourced from PubChem (CID 59703592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).