2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione

C17H11ClF3NO4 — CID 1307065

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C2=O
InChIInChI=1S/C17H11ClF3NO4/c1-25-12-6-4-9-13(14(12)26-2)16(24)22(15(9)23)8-3-5-11(18)10(7-8)17(19,20)21/h3-7H,1-2H3
InChIKeyRSFVGZNBGNJBNN-UHFFFAOYSA-N
MW385.73 g/mol
LogP4.18
Rot. Bonds3

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione

2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione (PubChem CID 1307065) has the molecular formula C17H11ClF3NO4 and a molecular weight of 385.73 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione
PubChem CID1307065
Molecular FormulaC17H11ClF3NO4
Molecular Weight385.73 g/mol
Exact Mass385.03
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C2=O
InChIInChI=1S/C17H11ClF3NO4/c1-25-12-6-4-9-13(14(12)26-2)16(24)22(15(9)23)8-3-5-11(18)10(7-8)17(19,20)21/h3-7H,1-2H3
InChIKeyRSFVGZNBGNJBNN-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.73
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione (CID 1307065) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione is COc1ccc2c(c1OC)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C2=O.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione?
The InChIKey is RSFVGZNBGNJBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO4/c1-25-12-6-4-9-13(14(12)26-2)16(24)22(15(9)23)8-3-5-11(18)10(7-8)17(19,20)21/h3-7H,1-2H3.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione?
2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione has a molecular weight of 385.73 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione is sourced from PubChem (CID 1307065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).