(3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one

C21H11Cl4NO — CID 42600229

IUPAC(3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one
SMILESO=C1/C(=C\c2ccc(Cl)cc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C21H11Cl4NO/c22-13-9-8-12(18(25)11-13)10-15-14-4-1-2-7-19(14)26(21(15)27)20-16(23)5-3-6-17(20)24/h1-11H/b15-10-
InChIKeyGBLUZQALHCGHIR-GDNBJRDFSA-N
MW435.14 g/mol
LogP7.52
Rot. Bonds2

About (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one

(3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one (PubChem CID 42600229) has the molecular formula C21H11Cl4NO and a molecular weight of 435.14 g/mol. Its IUPAC name is (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one
PubChem CID42600229
Molecular FormulaC21H11Cl4NO
Molecular Weight435.14 g/mol
Exact Mass432.96
IUPAC Name(3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one
SMILESO=C1/C(=C\c2ccc(Cl)cc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C21H11Cl4NO/c22-13-9-8-12(18(25)11-13)10-15-14-4-1-2-7-19(14)26(21(15)27)20-16(23)5-3-6-17(20)24/h1-11H/b15-10-
InChIKeyGBLUZQALHCGHIR-GDNBJRDFSA-N
XLogP7.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.14
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2-chlorophenyl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
CID 42600227
(3Z)-3-[(4-chlorophenyl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
CID 42600725
(3Z)-3-[(1-benzyl-5-bromoindol-3-yl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
CID 155811181
1-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1237685
10-[(2R)-3-[3-[(Z)-[1-(2,6-dichlorophenyl)-2-oxoindol-3-ylidene]methyl]indol-1-yl]-2-hydroxypropyl]acridin-9-one
CID 155814828
5-[(2,4-dichlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 794556
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
CID 5392488
10-[3-[4-[(Z)-[1-(2,6-dichlorophenyl)-2-oxoindol-3-ylidene]methyl]-2,6-dimethoxyphenoxy]propyl]acridin-9-one
CID 155811126
4-[(2,4-dichlorophenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
CID 4270109
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836936
1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
CID 160578438
(5E)-1-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6148901

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one?
The IUPAC name of (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one (CID 42600229) is (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one?
The canonical SMILES for (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one is O=C1/C(=C\c2ccc(Cl)cc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl.
What is the InChIKey of (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one?
The InChIKey is GBLUZQALHCGHIR-GDNBJRDFSA-N. The full InChI is InChI=1S/C21H11Cl4NO/c22-13-9-8-12(18(25)11-13)10-15-14-4-1-2-7-19(14)26(21(15)27)20-16(23)5-3-6-17(20)24/h1-11H/b15-10-.
What are the key properties of (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one?
(3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one has a molecular weight of 435.14 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one is sourced from PubChem (CID 42600229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).