1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C26H20ClF10NO2 — CID 149280007

IUPAC1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCc1cc(C(/C=C(\F)c2ccc(C(=O)CC3(C(=O)NCC(F)(F)F)CC3)c(C(F)(F)F)c2)C(F)(F)F)ccc1Cl
InChIInChI=1S/C26H20ClF10NO2/c1-13-8-14(3-5-19(13)27)17(25(32,33)34)10-20(28)15-2-4-16(18(9-15)26(35,36)37)21(39)11-23(6-7-23)22(40)38-12-24(29,30)31/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,38,40)/b20-10-
InChIKeyXSTOMSUYVJQREK-JMIUGGIZSA-N
MW603.88 g/mol
LogP8.36
Rot. Bonds8

About 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 149280007) has the molecular formula C26H20ClF10NO2 and a molecular weight of 603.88 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID149280007
Molecular FormulaC26H20ClF10NO2
Molecular Weight603.88 g/mol
Exact Mass603.10
IUPAC Name1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCc1cc(C(/C=C(\F)c2ccc(C(=O)CC3(C(=O)NCC(F)(F)F)CC3)c(C(F)(F)F)c2)C(F)(F)F)ccc1Cl
InChIInChI=1S/C26H20ClF10NO2/c1-13-8-14(3-5-19(13)27)17(25(32,33)34)10-20(28)15-2-4-16(18(9-15)26(35,36)37)21(39)11-23(6-7-23)22(40)38-12-24(29,30)31/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,38,40)/b20-10-
InChIKeyXSTOMSUYVJQREK-JMIUGGIZSA-N
XLogP8.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.88
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 148605096
4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 159170237
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
1-[2-oxo-2-[2-(trifluoromethyl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 148605198
4-[(Z)-3-(3,4-dibromophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-2-(trifluoromethyl)benzamide
CID 130236913
1-[[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)benzoyl]amino]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 130236206
1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-(4,4-difluorocyclohexyl)ethanone
CID 158790677
(2S)-4-[4-[(Z)-3-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-methyl-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 147983693
N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzamide
CID 130236839
1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 158347285
(2S)-4-[4-[(Z)-3-[3,4-dichloro-5-(1,1-difluoroethyl)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-methyl-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 161260712
4-[(Z)-3-(4-chloro-3,5-dimethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)benzoic acid
CID 130236283

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 149280007) is 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is Cc1cc(C(/C=C(\F)c2ccc(C(=O)CC3(C(=O)NCC(F)(F)F)CC3)c(C(F)(F)F)c2)C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is XSTOMSUYVJQREK-JMIUGGIZSA-N. The full InChI is InChI=1S/C26H20ClF10NO2/c1-13-8-14(3-5-19(13)27)17(25(32,33)34)10-20(28)15-2-4-16(18(9-15)26(35,36)37)21(39)11-23(6-7-23)22(40)38-12-24(29,30)31/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,38,40)/b20-10-.
What are the key properties of 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 603.88 g/mol, XLogP of 8.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(Z)-3-(4-chloro-3-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 149280007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).