4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

C23H15BrClF10NO2 — CID 162058019

IUPAC4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(/C(F)=C/C(c2ccc(Br)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C23H15BrClF10NO2/c24-16-4-2-11(8-17(16)25)14(22(30,31)32)9-18(26)12-1-3-13(15(7-12)23(33,34)35)19(37)5-6-20(38)36-10-21(27,28)29/h1-4,7-9,14H,5-6,10H2,(H,36,38)/b18-9-
InChIKeyYZLFDQLAICVAER-NVMNQCDNSA-N
MW642.71 g/mol
LogP8.42
Rot. Bonds8

About 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 162058019) has the molecular formula C23H15BrClF10NO2 and a molecular weight of 642.71 g/mol. Its IUPAC name is 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID162058019
Molecular FormulaC23H15BrClF10NO2
Molecular Weight642.71 g/mol
Exact Mass640.98
IUPAC Name4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(/C(F)=C/C(c2ccc(Br)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C23H15BrClF10NO2/c24-16-4-2-11(8-17(16)25)14(22(30,31)32)9-18(26)12-1-3-13(15(7-12)23(33,34)35)19(37)5-6-20(38)36-10-21(27,28)29/h1-4,7-9,14H,5-6,10H2,(H,36,38)/b18-9-
InChIKeyYZLFDQLAICVAER-NVMNQCDNSA-N
XLogP8.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.71
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 162058019) is 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is O=C(CCC(=O)c1ccc(/C(F)=C/C(c2ccc(Br)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)NCC(F)(F)F.
What is the InChIKey of 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YZLFDQLAICVAER-NVMNQCDNSA-N. The full InChI is InChI=1S/C23H15BrClF10NO2/c24-16-4-2-11(8-17(16)25)14(22(30,31)32)9-18(26)12-1-3-13(15(7-12)23(33,34)35)19(37)5-6-20(38)36-10-21(27,28)29/h1-4,7-9,14H,5-6,10H2,(H,36,38)/b18-9-.
What are the key properties of 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 642.71 g/mol, XLogP of 8.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 162058019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).