4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione

C17H11Cl2NO3 — CID 139773515

IUPAC4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione
SMILESCc1ccccc1C(=O)CN1C(=O)C(=O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H11Cl2NO3/c1-9-4-2-3-5-11(9)14(21)8-20-13-7-10(18)6-12(19)15(13)16(22)17(20)23/h2-7H,8H2,1H3
InChIKeyZSXRGEZSALGQSV-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.71
Rot. Bonds3

About 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione

4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione (PubChem CID 139773515) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione
PubChem CID139773515
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione
SMILESCc1ccccc1C(=O)CN1C(=O)C(=O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H11Cl2NO3/c1-9-4-2-3-5-11(9)14(21)8-20-13-7-10(18)6-12(19)15(13)16(22)17(20)23/h2-7H,8H2,1H3
InChIKeyZSXRGEZSALGQSV-UHFFFAOYSA-N
XLogP3.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540
1-[2-(2-methylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62024351
6-chloro-1-phenacylindole-2,3-dione
CID 62023849
3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 21201718
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 60623690
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62024325
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
CID 61358149
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione?
The IUPAC name of 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione (CID 139773515) is 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione.
What is the SMILES notation for 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione?
The canonical SMILES for 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione is Cc1ccccc1C(=O)CN1C(=O)C(=O)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione?
The InChIKey is ZSXRGEZSALGQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c1-9-4-2-3-5-11(9)14(21)8-20-13-7-10(18)6-12(19)15(13)16(22)17(20)23/h2-7H,8H2,1H3.
What are the key properties of 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione?
4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione has a molecular weight of 348.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione is sourced from PubChem (CID 139773515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).