4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide

C24H17BrCl2F10N2O2 — CID 130236761

IUPAC4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)c(Br)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C24H17BrCl2F10N2O2/c1-10(21(41)39(2)9-22(29,30)31)38-20(40)13-4-3-11(5-15(13)24(35,36)37)18(28)8-14(23(32,33)34)12-6-16(26)19(25)17(27)7-12/h3-8,10,14H,9H2,1-2H3,(H,38,40)/b18-8-
InChIKeyGIBBWJKCPXHFOV-LSCVHKIXSA-N
MW706.20 g/mol
LogP8.57
Rot. Bonds7

About 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide

4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 130236761) has the molecular formula C24H17BrCl2F10N2O2 and a molecular weight of 706.20 g/mol. Its IUPAC name is 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID130236761
Molecular FormulaC24H17BrCl2F10N2O2
Molecular Weight706.20 g/mol
Exact Mass703.97
IUPAC Name4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)c(Br)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C24H17BrCl2F10N2O2/c1-10(21(41)39(2)9-22(29,30)31)38-20(40)13-4-3-11(5-15(13)24(35,36)37)18(28)8-14(23(32,33)34)12-6-16(26)19(25)17(27)7-12/h3-8,10,14H,9H2,1-2H3,(H,38,40)/b18-8-
InChIKeyGIBBWJKCPXHFOV-LSCVHKIXSA-N
XLogP8.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.20
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-3-(3-chloro-4-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide
CID 130236851
N-[(2R)-1-oxo-1-[prop-2-enoxy(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzamide
CID 130237074
N-methyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)benzamide
CID 130238223
4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)benzoic acid
CID 130236224
4-[(Z)-3-(3-bromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 130237206
4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[(E,2R)-7,7,7-trifluoro-3-oxohept-4-en-2-yl]benzamide
CID 130272385
N-[1-(butylamino)-1-oxopropan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzamide
CID 130237203
N-[1-oxo-1-(prop-2-enylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzamide
CID 130236979
4-[3-(4-bromo-3-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyrimidin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 135341329
1-[[4-[(Z)-3-(3,4-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)benzoyl]amino]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 130236250
4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 130257894
4-[(Z)-3-[3-chloro-5-(difluoromethyl)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 130237102

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide (CID 130236761) is 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide is CC(NC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)c(Br)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is GIBBWJKCPXHFOV-LSCVHKIXSA-N. The full InChI is InChI=1S/C24H17BrCl2F10N2O2/c1-10(21(41)39(2)9-22(29,30)31)38-20(40)13-4-3-11(5-15(13)24(35,36)37)18(28)8-14(23(32,33)34)12-6-16(26)19(25)17(27)7-12/h3-8,10,14H,9H2,1-2H3,(H,38,40)/b18-8-.
What are the key properties of 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide?
4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 706.20 g/mol, XLogP of 8.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 130236761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).