3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one

C22H14Cl2FNO2 — CID 4204440

IUPAC3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C22H14Cl2FNO2/c23-18-10-14(9-17-16-3-1-2-4-20(16)26-22(17)27)11-19(24)21(18)28-12-13-5-7-15(25)8-6-13/h1-11H,12H2,(H,26,27)
InChIKeyHHOUOUOXGUQBDA-UHFFFAOYSA-N
MW414.26 g/mol
LogP6.20
Rot. Bonds4

About 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one

3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one (PubChem CID 4204440) has the molecular formula C22H14Cl2FNO2 and a molecular weight of 414.26 g/mol. Its IUPAC name is 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
PubChem CID4204440
Molecular FormulaC22H14Cl2FNO2
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C22H14Cl2FNO2/c23-18-10-14(9-17-16-3-1-2-4-20(16)26-22(17)27)11-19(24)21(18)28-12-13-5-7-15(25)8-6-13/h1-11H,12H2,(H,26,27)
InChIKeyHHOUOUOXGUQBDA-UHFFFAOYSA-N
XLogP6.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.26
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-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

N-2-biphenylyl-3-chloro-4-ethoxybenzamide
CID 1297226
3,5-dichloro-4-ethoxy-N-(2-phenylphenyl)benzamide
CID 1803629
(3E)-5-chloro-3-[[2-(4-chlorophenyl)-4-methoxyphenyl]methylidene]-1H-indol-2-one
CID 90643715
(3E)-3-[[2-(4-chlorophenyl)-4-methoxyphenyl]methylidene]-5-fluoro-1H-indol-2-one
CID 90643716
(3E)-5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
CID 22500220
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
N-2-biphenylyl-3,5-dichloro-4-methoxybenzamide
CID 2232883
(3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one
CID 71457713
3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 738328
3,5-dichloro-N-(4-fluorophenyl)-4-methoxybenzamide
CID 881302
(3E)-5-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 2338582
(3Z)-5-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 2338583

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one (CID 4204440) is 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is HHOUOUOXGUQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FNO2/c23-18-10-14(9-17-16-3-1-2-4-20(16)26-22(17)27)11-19(24)21(18)28-12-13-5-7-15(25)8-6-13/h1-11H,12H2,(H,26,27).
What are the key properties of 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one?
3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 414.26 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 4204440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).