(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

C20H11ClF3NO2 — CID 66553955

IUPAC(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H11ClF3NO2/c21-13-4-6-15-16(19(26)25-17(15)9-13)10-14-5-7-18(27-14)11-2-1-3-12(8-11)20(22,23)24/h1-10H,(H,25,26)/b16-10+
InChIKeyZWMVTAZHKAFBNJ-MHWRWJLKSA-N
MW389.76 g/mol
LogP6.11
Rot. Bonds2

About (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 66553955) has the molecular formula C20H11ClF3NO2 and a molecular weight of 389.76 g/mol. Its IUPAC name is (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID66553955
Molecular FormulaC20H11ClF3NO2
Molecular Weight389.76 g/mol
Exact Mass389.04
IUPAC Name(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H11ClF3NO2/c21-13-4-6-15-16(19(26)25-17(15)9-13)10-14-5-7-18(27-14)11-2-1-3-12(8-11)20(22,23)24/h1-10H,(H,25,26)/b16-10+
InChIKeyZWMVTAZHKAFBNJ-MHWRWJLKSA-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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Related Compounds

(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 124672233
6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one
CID 70190219
3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-hydroxy-N-methylbenzamide
CID 143921870
ethyl 4-[5-[(E)-[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]furan-2-yl]benzoate
CID 21374061
4-methyl-2,6-dioxo-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 3952279
(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one
CID 18270118
2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidin-4-one
CID 4108905
4-chloro-N-[(5Z)-4-oxo-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-ylidene]benzamide
CID 137065320
1-cyclohexyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3951834
(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782273
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 4838804
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844418

Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (CID 66553955) is (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is ZWMVTAZHKAFBNJ-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H11ClF3NO2/c21-13-4-6-15-16(19(26)25-17(15)9-13)10-14-5-7-18(27-14)11-2-1-3-12(8-11)20(22,23)24/h1-10H,(H,25,26)/b16-10+.
What are the key properties of (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
(3E)-6-chloro-3-[[5-[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 (3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 66553955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).