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

C21H12Cl2FNO — CID 44583075

IUPAC(3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one
SMILESO=C1/C(=C/c2ccc(F)cc2)c2ccccc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C21H12Cl2FNO/c22-17-5-3-6-18(23)20(17)25-19-7-2-1-4-15(19)16(21(25)26)12-13-8-10-14(24)11-9-13/h1-12H/b16-12+
InChIKeyILFWUFDHCZLBEJ-FOWTUZBSSA-N
MW384.24 g/mol
LogP6.35
Rot. Bonds2

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

(3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one (PubChem CID 44583075) has the molecular formula C21H12Cl2FNO and a molecular weight of 384.24 g/mol. Its IUPAC name is (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one
PubChem CID44583075
Molecular FormulaC21H12Cl2FNO
Molecular Weight384.24 g/mol
Exact Mass383.03
IUPAC Name(3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one
SMILESO=C1/C(=C/c2ccc(F)cc2)c2ccccc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C21H12Cl2FNO/c22-17-5-3-6-18(23)20(17)25-19-7-2-1-4-15(19)16(21(25)26)12-13-8-10-14(24)11-9-13/h1-12H/b16-12+
InChIKeyILFWUFDHCZLBEJ-FOWTUZBSSA-N
XLogP6.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.35
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'}

Analyze (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diclofenac lactam
CID 27211
3-Benzyl-1-(3,5-dichloro-phenyl)-3-methyl-1,3-dihydro-indol-2-one
CID 9800103
3-(2,6-Dichlorobenzylidene)indolin-2-one
CID 2047325
2-(2,4-Dichlorophenyl)-1,2-benzoselenazol-3-one
CID 166626801
Phthalimide, N-(o-chlorophenyl)-
CID 89795
2-(2,4-dichlorophenyl)-1H-isoindole-1,3(2H)-dione
CID 236669
2-(2,4-dichlorophenyl)-3H-isoindol-1-one
CID 842642
1-(2,6-Dichlorophenyl)-1H-indole-2,3-dione
CID 14470146
(3E)-3-[(2,6-dichlorophenyl)methylidene]-5-fluoro-1H-indol-2-one
CID 5868649
(E)-5-chloro-3-(2-fluoro-benzylidene)-1,3-dihydro-indol-2-one
CID 5821855
(3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
CID 13339481
(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
CID 13339485

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one?
The IUPAC name of (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one (CID 44583075) is (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one.
What is the SMILES notation for (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one?
The canonical SMILES for (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one is O=C1/C(=C/c2ccc(F)cc2)c2ccccc2N1c1c(Cl)cccc1Cl.
What is the InChIKey of (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one?
The InChIKey is ILFWUFDHCZLBEJ-FOWTUZBSSA-N. The full InChI is InChI=1S/C21H12Cl2FNO/c22-17-5-3-6-18(23)20(17)25-19-7-2-1-4-15(19)16(21(25)26)12-13-8-10-14(24)11-9-13/h1-12H/b16-12+.
What are the key properties of (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one?
(3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one has a molecular weight of 384.24 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one is sourced from PubChem (CID 44583075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).