4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one

C26H28ClNO2 — CID 162271446

IUPAC4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one
SMILESCc1ccc2c(c1)c(CCCC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClNO2/c1-17-10-15-24-23(16-17)22(8-5-9-25(29)19-6-3-4-7-19)18(2)28(24)26(30)20-11-13-21(27)14-12-20/h10-16,19H,3-9H2,1-2H3
InChIKeyZPTLIKLOLLZPEC-UHFFFAOYSA-N
MW421.97 g/mol
LogP6.68
Rot. Bonds6

About 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one

4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one (PubChem CID 162271446) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one.

Molecular Properties

Compound Name4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one
PubChem CID162271446
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one
SMILESCc1ccc2c(c1)c(CCCC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClNO2/c1-17-10-15-24-23(16-17)22(8-5-9-25(29)19-6-3-4-7-19)18(2)28(24)26(30)20-11-13-21(27)14-12-20/h10-16,19H,3-9H2,1-2H3
InChIKeyZPTLIKLOLLZPEC-UHFFFAOYSA-N
XLogP6.68
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide
CID 162283280
(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone
CID 11211027
carbanide;N-[[4-[4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-3-oxobutyl]phenyl]methyl]cyclopentanecarboxamide;N-[7-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-6-oxoheptyl]cyclopentanecarboxamide;N-[2-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[11-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-10-oxoundecyl]cyclopentanecarboxamide;methanol;methanone;rhenium
CID 162286421
propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2569721
2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetic acid;4-chloro-N-(4-methylphenyl)benzohydrazide;methane;5-methyl-3H-furan-2-one
CID 159001004
[6-chloro-3-(2,2-dihydroxyethyl)-5-hydroxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
CID 91121279
(2-methoxy-4-methylphenyl) 1-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]pyrrolidine-2-carboxylate
CID 11706884
2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71081714

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one?
The IUPAC name of 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one (CID 162271446) is 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one.
What is the SMILES notation for 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one?
The canonical SMILES for 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one is Cc1ccc2c(c1)c(CCCC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one?
The InChIKey is ZPTLIKLOLLZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO2/c1-17-10-15-24-23(16-17)22(8-5-9-25(29)19-6-3-4-7-19)18(2)28(24)26(30)20-11-13-21(27)14-12-20/h10-16,19H,3-9H2,1-2H3.
What are the key properties of 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one?
4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one has a molecular weight of 421.97 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one is sourced from PubChem (CID 162271446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).