(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one

C23H19Cl2NO2 — CID 126127322

IUPAC(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc21
InChIInChI=1S/C23H19Cl2NO2/c1-14(2)13-26-21-6-4-3-5-17(21)18(23(26)27)12-16-8-10-22(28-16)15-7-9-19(24)20(25)11-15/h3-12,14H,13H2,1-2H3/b18-12-
InChIKeyVDQFFSMZJIEYLE-PDGQHHTCSA-N
MW412.32 g/mol
LogP6.80
Rot. Bonds4

About (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one

(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one (PubChem CID 126127322) has the molecular formula C23H19Cl2NO2 and a molecular weight of 412.32 g/mol. Its IUPAC name is (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one
PubChem CID126127322
Molecular FormulaC23H19Cl2NO2
Molecular Weight412.32 g/mol
Exact Mass411.08
IUPAC Name(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc21
InChIInChI=1S/C23H19Cl2NO2/c1-14(2)13-26-21-6-4-3-5-17(21)18(23(26)27)12-16-8-10-22(28-16)15-7-9-19(24)20(25)11-15/h3-12,14H,13H2,1-2H3/b18-12-
InChIKeyVDQFFSMZJIEYLE-PDGQHHTCSA-N
XLogP6.80
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3858183
(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
CID 126120532
3-[5-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)methyl]furan-2-yl]benzoic acid
CID 126123771
(3Z)-3-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126118417
(3Z)-3-[[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126117128
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075
(3Z)-3-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126121163
(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-4-methyl-1-(2-methylpropyl)-2,6-dioxopyridine-3-carbonitrile
CID 50885414
2-chloro-4-[5-[(1,3-dioxoinden-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 985055
methyl 2-chloro-5-[5-[(1,3-dioxoinden-2-ylidene)methyl]furan-2-yl]benzoate
CID 126398267
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19112088
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91970215

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one?
The IUPAC name of (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one (CID 126127322) is (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one is CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc21.
What is the InChIKey of (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one?
The InChIKey is VDQFFSMZJIEYLE-PDGQHHTCSA-N. The full InChI is InChI=1S/C23H19Cl2NO2/c1-14(2)13-26-21-6-4-3-5-17(21)18(23(26)27)12-16-8-10-22(28-16)15-7-9-19(24)20(25)11-15/h3-12,14H,13H2,1-2H3/b18-12-.
What are the key properties of (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one?
(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one has a molecular weight of 412.32 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 126127322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).