(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one

C24H19Cl2NO2 — CID 126119921

IUPAC(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c2ccccc21
InChIInChI=1S/C24H19Cl2NO2/c1-2-27-23-6-4-3-5-20(23)21(24(27)28)13-16-7-11-19(12-8-16)29-15-17-9-10-18(25)14-22(17)26/h3-14H,2,15H2,1H3/b21-13-
InChIKeyDTAFPJRTWWJZTC-BKUYFWCQSA-N
MW424.33 g/mol
LogP6.48
Rot. Bonds5

About (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one

(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one (PubChem CID 126119921) has the molecular formula C24H19Cl2NO2 and a molecular weight of 424.33 g/mol. Its IUPAC name is (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
PubChem CID126119921
Molecular FormulaC24H19Cl2NO2
Molecular Weight424.33 g/mol
Exact Mass423.08
IUPAC Name(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c2ccccc21
InChIInChI=1S/C24H19Cl2NO2/c1-2-27-23-6-4-3-5-20(23)21(24(27)28)13-16-7-11-19(12-8-16)29-15-17-9-10-18(25)14-22(17)26/h3-14H,2,15H2,1H3/b21-13-
InChIKeyDTAFPJRTWWJZTC-BKUYFWCQSA-N
XLogP6.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-propylindol-2-one
CID 126126074
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126120705
(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126405
(3Z)-3-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126122400
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1401885
(3Z)-1-ethyl-3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]indol-2-one
CID 126121868
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2719850
(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-propylindol-2-one
CID 126124331
5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1007773
(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 126024707
(3Z)-3-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126128601

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one?
The IUPAC name of (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one (CID 126119921) is (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one?
The canonical SMILES for (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one is CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c2ccccc21.
What is the InChIKey of (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one?
The InChIKey is DTAFPJRTWWJZTC-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H19Cl2NO2/c1-2-27-23-6-4-3-5-20(23)21(24(27)28)13-16-7-11-19(12-8-16)29-15-17-9-10-18(25)14-22(17)26/h3-14H,2,15H2,1H3/b21-13-.
What are the key properties of (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one?
(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one has a molecular weight of 424.33 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one is sourced from PubChem (CID 126119921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).