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

C26H29Cl2N3O2 — CID 57479175

IUPAC2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide
SMILESO=C(CN(C1CCCC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)NC1CCC1
InChIInChI=1S/C26H29Cl2N3O2/c27-18-6-3-5-17(13-18)15-26(22-12-11-19(28)14-23(22)30-25(26)33)31(21-9-1-2-10-21)16-24(32)29-20-7-4-8-20/h3,5-6,11-14,20-21H,1-2,4,7-10,15-16H2,(H,29,32)(H,30,33)
InChIKeyAPHKCKFJLXCQHH-UHFFFAOYSA-N
MW486.44 g/mol
LogP5.30
Rot. Bonds7

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

2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide (PubChem CID 57479175) has the molecular formula C26H29Cl2N3O2 and a molecular weight of 486.44 g/mol. Its IUPAC name is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide
PubChem CID57479175
Molecular FormulaC26H29Cl2N3O2
Molecular Weight486.44 g/mol
Exact Mass485.16
IUPAC Name2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide
SMILESO=C(CN(C1CCCC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)NC1CCC1
InChIInChI=1S/C26H29Cl2N3O2/c27-18-6-3-5-17(13-18)15-26(22-12-11-19(28)14-23(22)30-25(26)33)31(21-9-1-2-10-21)16-24(32)29-20-7-4-8-20/h3,5-6,11-14,20-21H,1-2,4,7-10,15-16H2,(H,29,32)(H,30,33)
InChIKeyAPHKCKFJLXCQHH-UHFFFAOYSA-N
XLogP5.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide?
The IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide (CID 57479175) is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide.
What is the SMILES notation for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide?
The canonical SMILES for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide is O=C(CN(C1CCCC1)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)NC1CCC1.
What is the InChIKey of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide?
The InChIKey is APHKCKFJLXCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N3O2/c27-18-6-3-5-17(13-18)15-26(22-12-11-19(28)14-23(22)30-25(26)33)31(21-9-1-2-10-21)16-24(32)29-20-7-4-8-20/h3,5-6,11-14,20-21H,1-2,4,7-10,15-16H2,(H,29,32)(H,30,33).
What are the key properties of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide?
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide has a molecular weight of 486.44 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide is sourced from PubChem (CID 57479175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).