4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide

C17H11ClF7NO2 — CID 2290267

IUPAC4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF7NO2/c18-10-3-1-9(2-4-10)14(27)26-11-5-6-13(12(7-11)17(23,24)25)28-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,26,27)
InChIKeyITNHXBIEOHMRCY-UHFFFAOYSA-N
MW429.72 g/mol
LogP5.89
Rot. Bonds6

About 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide

4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 2290267) has the molecular formula C17H11ClF7NO2 and a molecular weight of 429.72 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
PubChem CID2290267
Molecular FormulaC17H11ClF7NO2
Molecular Weight429.72 g/mol
Exact Mass429.04
IUPAC Name4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF7NO2/c18-10-3-1-9(2-4-10)14(27)26-11-5-6-13(12(7-11)17(23,24)25)28-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,26,27)
InChIKeyITNHXBIEOHMRCY-UHFFFAOYSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.72
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide 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 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide (CID 2290267) is 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ITNHXBIEOHMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF7NO2/c18-10-3-1-9(2-4-10)14(27)26-11-5-6-13(12(7-11)17(23,24)25)28-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,26,27).
What are the key properties of 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 429.72 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2290267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).