(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one

C15H8Cl2FNO — CID 86620116

IUPAC(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H8Cl2FNO/c16-9-2-3-10-11(15(20)19-14(10)7-9)5-8-1-4-13(18)12(17)6-8/h1-7H,(H,19,20)/b11-5-
InChIKeyUGPGRHRXMWWFRP-WZUFQYTHSA-N
MW308.14 g/mol
LogP4.63
Rot. Bonds1

About (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one

(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one (PubChem CID 86620116) has the molecular formula C15H8Cl2FNO and a molecular weight of 308.14 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
PubChem CID86620116
Molecular FormulaC15H8Cl2FNO
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H8Cl2FNO/c16-9-2-3-10-11(15(20)19-14(10)7-9)5-8-1-4-13(18)12(17)6-8/h1-7H,(H,19,20)/b11-5-
InChIKeyUGPGRHRXMWWFRP-WZUFQYTHSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.63
H-Bond Donors ≤ 51
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

(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710618
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chloro-1H-indol-2-one
CID 2487183
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372
(3E)-6-chloro-3-[(7-chloro-1,3-benzodioxol-5-yl)methylidene]-1H-indol-2-one
CID 9185747
6-chloro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245952
3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
CID 71245897

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one (CID 86620116) is (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(F)c(Cl)c1.
What is the InChIKey of (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is UGPGRHRXMWWFRP-WZUFQYTHSA-N. The full InChI is InChI=1S/C15H8Cl2FNO/c16-9-2-3-10-11(15(20)19-14(10)7-9)5-8-1-4-13(18)12(17)6-8/h1-7H,(H,19,20)/b11-5-.
What are the key properties of (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one?
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 308.14 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 86620116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).