1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione

C18H11ClF3NO2 — CID 25006661

IUPAC1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione
SMILESO=C1C(=O)N(C/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H11ClF3NO2/c19-14-8-7-11(10-13(14)18(20,21)22)4-3-9-23-15-6-2-1-5-12(15)16(24)17(23)25/h1-8,10H,9H2/b4-3+
InChIKeyAWPXNCSQYKTFAV-ONEGZZNKSA-N
MW365.74 g/mol
LogP4.60
Rot. Bonds3

About 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione

1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione (PubChem CID 25006661) has the molecular formula C18H11ClF3NO2 and a molecular weight of 365.74 g/mol. Its IUPAC name is 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione
PubChem CID25006661
Molecular FormulaC18H11ClF3NO2
Molecular Weight365.74 g/mol
Exact Mass365.04
IUPAC Name1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione
SMILESO=C1C(=O)N(C/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H11ClF3NO2/c19-14-8-7-11(10-13(14)18(20,21)22)4-3-9-23-15-6-2-1-5-12(15)16(24)17(23)25/h1-8,10H,9H2/b4-3+
InChIKeyAWPXNCSQYKTFAV-ONEGZZNKSA-N
XLogP4.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-Benzylisatin
CID 264734
1-Phenethylindoline-2,3-dione
CID 1894707
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
CID 1901244
1-((E)-3-phenylprop-2-enyl)indole-2,3-dione
CID 2057118
5-fluoro-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 7678107
1-(2-Oxo-2-phenyl-ethyl)-1H-indole-2,3-dione
CID 2054452
1-(3-phenylpropyl)-1H-indole-2,3-dione
CID 2282752
1-Butyl-5-chloroindoline-2,3-dione
CID 4736862
5-Chloro-1-methylindole-2,3-dione
CID 108941
(E)-5-(3-Chlorostyryl)isatin
CID 44575103
(2,4-Dichloro-phenyl)-(2,3-dihydro-indol-1-yl)-methanone
CID 819675

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione?
The IUPAC name of 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione (CID 25006661) is 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione is O=C1C(=O)N(C/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione?
The InChIKey is AWPXNCSQYKTFAV-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H11ClF3NO2/c19-14-8-7-11(10-13(14)18(20,21)22)4-3-9-23-15-6-2-1-5-12(15)16(24)17(23)25/h1-8,10H,9H2/b4-3+.
What are the key properties of 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione?
1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione has a molecular weight of 365.74 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 25006661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).