1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione

C18H10Cl2F3NO3 — CID 68850884

IUPAC1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione
SMILESO=C1C(=O)N(CC=Cc2ccc(Cl)c(Cl)c2)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C18H10Cl2F3NO3/c19-13-5-3-10(8-14(13)20)2-1-7-24-15-6-4-11(27-18(21,22)23)9-12(15)16(25)17(24)26/h1-6,8-9H,7H2
InChIKeySIXYDOUAEMJQCW-UHFFFAOYSA-N
MW416.18 g/mol
LogP5.13
Rot. Bonds4

About 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione

1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione (PubChem CID 68850884) has the molecular formula C18H10Cl2F3NO3 and a molecular weight of 416.18 g/mol. Its IUPAC name is 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione.

Molecular Properties

Compound Name1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione
PubChem CID68850884
Molecular FormulaC18H10Cl2F3NO3
Molecular Weight416.18 g/mol
Exact Mass415.00
IUPAC Name1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione
SMILESO=C1C(=O)N(CC=Cc2ccc(Cl)c(Cl)c2)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C18H10Cl2F3NO3/c19-13-5-3-10(8-14(13)20)2-1-7-24-15-6-4-11(27-18(21,22)23)9-12(15)16(25)17(24)26/h1-6,8-9H,7H2
InChIKeySIXYDOUAEMJQCW-UHFFFAOYSA-N
XLogP5.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.18
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione?
The IUPAC name of 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione (CID 68850884) is 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione.
What is the SMILES notation for 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione?
The canonical SMILES for 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione is O=C1C(=O)N(CC=Cc2ccc(Cl)c(Cl)c2)c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione?
The InChIKey is SIXYDOUAEMJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3NO3/c19-13-5-3-10(8-14(13)20)2-1-7-24-15-6-4-11(27-18(21,22)23)9-12(15)16(25)17(24)26/h1-6,8-9H,7H2.
What are the key properties of 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione?
1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione has a molecular weight of 416.18 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dichlorophenyl)prop-2-enyl]-5-(trifluoromethoxy)indole-2,3-dione is sourced from PubChem (CID 68850884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).