(3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

C20H11ClF3NO2 — CID 126123020

IUPAC(3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C20H11ClF3NO2/c21-16-7-5-11(9-15(16)20(22,23)24)18-8-6-12(27-18)10-14-13-3-1-2-4-17(13)25-19(14)26/h1-10H,(H,25,26)/b14-10-
InChIKeyKAHGFYUMPLQQQT-UVTDQMKNSA-N
MW389.76 g/mol
LogP6.11
Rot. Bonds2

About (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 126123020) has the molecular formula C20H11ClF3NO2 and a molecular weight of 389.76 g/mol. Its IUPAC name is (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID126123020
Molecular FormulaC20H11ClF3NO2
Molecular Weight389.76 g/mol
Exact Mass389.04
IUPAC Name(3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C20H11ClF3NO2/c21-16-7-5-11(9-15(16)20(22,23)24)18-8-6-12(27-18)10-14-13-3-1-2-4-17(13)25-19(14)26/h1-10H,(H,25,26)/b14-10-
InChIKeyKAHGFYUMPLQQQT-UVTDQMKNSA-N
XLogP6.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.76
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (CID 126123020) is (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is KAHGFYUMPLQQQT-UVTDQMKNSA-N. The full InChI is InChI=1S/C20H11ClF3NO2/c21-16-7-5-11(9-15(16)20(22,23)24)18-8-6-12(27-18)10-14-13-3-1-2-4-17(13)25-19(14)26/h1-10H,(H,25,26)/b14-10-.
What are the key properties of (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 389.76 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 126123020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).