(2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one

C22H14F3NO2 — CID 162535752

IUPAC(2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one
SMILESO=C1/C(=C/c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)Nc2ccccc21
InChIInChI=1S/C22H14F3NO2/c23-22(24,25)28-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-20-21(27)18-6-1-2-7-19(18)26-20/h1-13,26H/b20-13-
InChIKeyWJTTWCZFLZHMQP-MOSHPQCFSA-N
MW381.35 g/mol
LogP5.90
Rot. Bonds3

About (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one

(2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one (PubChem CID 162535752) has the molecular formula C22H14F3NO2 and a molecular weight of 381.35 g/mol. Its IUPAC name is (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one.

Molecular Properties

Compound Name(2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one
PubChem CID162535752
Molecular FormulaC22H14F3NO2
Molecular Weight381.35 g/mol
Exact Mass381.10
IUPAC Name(2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one
SMILESO=C1/C(=C/c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)Nc2ccccc21
InChIInChI=1S/C22H14F3NO2/c23-22(24,25)28-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-20-21(27)18-6-1-2-7-19(18)26-20/h1-13,26H/b20-13-
InChIKeyWJTTWCZFLZHMQP-MOSHPQCFSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.35
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 44590759
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
2-[[3-(trifluoromethoxy)phenyl]methylidene]-1-benzofuran-3-one
CID 91304244
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
(3E)-5-chloro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245718
2-(furan-2-ylmethylidene)-1H-indol-3-one
CID 677294
(2Z)-2-(thiophen-2-ylmethylidene)-1H-indol-3-one
CID 6056450
(5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
CID 37467136
6-fluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245803
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
3-phenyl-5-(trifluoromethoxy)benzaldehyde
CID 122475037
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one?
The IUPAC name of (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one (CID 162535752) is (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one.
What is the SMILES notation for (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one?
The canonical SMILES for (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one is O=C1/C(=C/c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)Nc2ccccc21.
What is the InChIKey of (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one?
The InChIKey is WJTTWCZFLZHMQP-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H14F3NO2/c23-22(24,25)28-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-20-21(27)18-6-1-2-7-19(18)26-20/h1-13,26H/b20-13-.
What are the key properties of (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one?
(2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one has a molecular weight of 381.35 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one is sourced from PubChem (CID 162535752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).