1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one

C24H17Cl4NO2 — CID 10074413

IUPAC1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one
SMILESCC(=O)N1C(=O)C(Cc2ccc(Cl)c(Cl)c2)(Cc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C24H17Cl4NO2/c1-14(30)29-22-5-3-2-4-17(22)24(23(29)31,12-15-6-8-18(25)20(27)10-15)13-16-7-9-19(26)21(28)11-16/h2-11H,12-13H2,1H3
InChIKeyFUWCJOXBDYEIAE-UHFFFAOYSA-N
MW493.22 g/mol
LogP6.92
Rot. Bonds4

About 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one

1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one (PubChem CID 10074413) has the molecular formula C24H17Cl4NO2 and a molecular weight of 493.22 g/mol. Its IUPAC name is 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one.

Molecular Properties

Compound Name1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one
PubChem CID10074413
Molecular FormulaC24H17Cl4NO2
Molecular Weight493.22 g/mol
Exact Mass491.00
IUPAC Name1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one
SMILESCC(=O)N1C(=O)C(Cc2ccc(Cl)c(Cl)c2)(Cc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C24H17Cl4NO2/c1-14(30)29-22-5-3-2-4-17(22)24(23(29)31,12-15-6-8-18(25)20(27)10-15)13-16-7-9-19(26)21(28)11-16/h2-11H,12-13H2,1H3
InChIKeyFUWCJOXBDYEIAE-UHFFFAOYSA-N
XLogP6.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.22
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3,3-diethylindol-2-one
CID 59379162
1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
CID 58811757
1-acetyl-3-benzyl-3-methylindol-2-one
CID 102230524
(3R)-3'-acetyl-1'-[(3,4-dichlorophenyl)methyl]spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 69263237
(3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 40963900
tert-butyl (3S)-3-(hydroxymethyl)-3-[(4-methylphenyl)methyl]-2-oxoindole-1-carboxylate
CID 46867697
tert-butyl (3R)-3-benzyl-3-ethyl-2-oxoindole-1-carboxylate
CID 56966781
1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 20501035
(5R)-5-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 6590877
tert-butyl (3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-2-oxoindole-1-carboxylate
CID 46867340
1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
CID 14209559
1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16765542

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one?
The IUPAC name of 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one (CID 10074413) is 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one.
What is the SMILES notation for 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one?
The canonical SMILES for 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one is CC(=O)N1C(=O)C(Cc2ccc(Cl)c(Cl)c2)(Cc2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one?
The InChIKey is FUWCJOXBDYEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl4NO2/c1-14(30)29-22-5-3-2-4-17(22)24(23(29)31,12-15-6-8-18(25)20(27)10-15)13-16-7-9-19(26)21(28)11-16/h2-11H,12-13H2,1H3.
What are the key properties of 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one?
1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one has a molecular weight of 493.22 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one is sourced from PubChem (CID 10074413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).