1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one

C25H21Cl2NO4 — CID 17088446

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCCOc1ccc(C(=O)CC2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C25H21Cl2NO4/c1-2-32-17-12-10-16(11-13-17)23(29)14-25(31)19-6-3-4-9-22(19)28(24(25)30)15-18-20(26)7-5-8-21(18)27/h3-13,31H,2,14-15H2,1H3
InChIKeyNSKSVKQVPUFLBZ-UHFFFAOYSA-N
MW470.35 g/mol
LogP5.40
Rot. Bonds7

About 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one

1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 17088446) has the molecular formula C25H21Cl2NO4 and a molecular weight of 470.35 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID17088446
Molecular FormulaC25H21Cl2NO4
Molecular Weight470.35 g/mol
Exact Mass469.08
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCCOc1ccc(C(=O)CC2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C25H21Cl2NO4/c1-2-32-17-12-10-16(11-13-17)23(29)14-25(31)19-6-3-4-9-22(19)28(24(25)30)15-18-20(26)7-5-8-21(18)27/h3-13,31H,2,14-15H2,1H3
InChIKeyNSKSVKQVPUFLBZ-UHFFFAOYSA-N
XLogP5.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one with MolForge

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Related Compounds

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 3747127
(3R)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 797964
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2915280
(3R)-1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 29445827
(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 1425884
1-benzyl-5-chloro-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3306555
1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 17078106
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425891
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425900
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131889
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 41339042

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 17088446) is 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one is CCOc1ccc(C(=O)CC2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is NSKSVKQVPUFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2NO4/c1-2-32-17-12-10-16(11-13-17)23(29)14-25(31)19-6-3-4-9-22(19)28(24(25)30)15-18-20(26)7-5-8-21(18)27/h3-13,31H,2,14-15H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 470.35 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 17088446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).