5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

C26H24ClNO3 — CID 15991254

IUPAC5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C26H24ClNO3/c1-2-18-8-10-20(11-9-18)24(29)17-26(31)22-16-21(27)12-13-23(22)28(25(26)30)15-14-19-6-4-3-5-7-19/h3-13,16,31H,2,14-15,17H2,1H3
InChIKeyZIJYOGLJCPFJBL-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.95
Rot. Bonds7

About 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (PubChem CID 15991254) has the molecular formula C26H24ClNO3 and a molecular weight of 433.94 g/mol. Its IUPAC name is 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
PubChem CID15991254
Molecular FormulaC26H24ClNO3
Molecular Weight433.94 g/mol
Exact Mass433.14
IUPAC Name5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C26H24ClNO3/c1-2-18-8-10-20(11-9-18)24(29)17-26(31)22-16-21(27)12-13-23(22)28(25(26)30)15-14-19-6-4-3-5-7-19/h3-13,16,31H,2,14-15,17H2,1H3
InChIKeyZIJYOGLJCPFJBL-UHFFFAOYSA-N
XLogP4.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 71811891
5,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one
CID 366637
3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
3-[2-(4-Aminophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2925029
1-allyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2925037
methyl {3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2939448
1-(4-chlorobenzyl)-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2949587
1-Benzyl-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxyindol-2-one
CID 2955435
3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-propyl-1,3-dihydro-2H-indol-2-one
CID 4414000
5-bromo-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 15991221
3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 15991224
1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 15991227

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (CID 15991254) is 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is CCc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The InChIKey is ZIJYOGLJCPFJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO3/c1-2-18-8-10-20(11-9-18)24(29)17-26(31)22-16-21(27)12-13-23(22)28(25(26)30)15-14-19-6-4-3-5-7-19/h3-13,16,31H,2,14-15,17H2,1H3.
What are the key properties of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one has a molecular weight of 433.94 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 15991254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).