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

C27H22ClF10NO2 — CID 148605096

About 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

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 (PubChem CID 148605096) has the molecular formula C27H22ClF10NO2 and a molecular weight of 617.91 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-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 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
• PubChem CID: 148605096
• Molecular Formula: C27H22ClF10NO2
• Molecular Weight: 617.91 g/mol
• Exact Mass: 617.12
• IUPAC Name: 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
• SMILES: Cc1cc(C(/C=C(\F)c2ccc(C(=O)CC3(C(=O)N(C)CC(F)(F)F)CC3)c(C(F)(F)F)c2)C(F)(F)F)ccc1Cl
• InChI: InChI=1S/C27H22ClF10NO2/c1-14-9-15(4-6-20(14)28)18(26(33,34)35)11-21(29)16-3-5-17(19(10-16)27(36,37)38)22(40)12-24(7-8-24)23(41)39(2)13-25(30,31)32/h3-6,9-11,18H,7-8,12-13H2,1-2H3/b21-11-
• InChIKey: NDGCULSFIUBZHP-NHDPSOOVSA-N
• XLogP: 8.70
• TPSA: 37.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.91
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-methyl-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-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 148605096) is 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.

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-methyl-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-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is Cc1cc(C(/C=C(\F)c2ccc(C(=O)CC3(C(=O)N(C)CC(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-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?

The InChIKey is NDGCULSFIUBZHP-NHDPSOOVSA-N. The full InChI is InChI=1S/C27H22ClF10NO2/c1-14-9-15(4-6-20(14)28)18(26(33,34)35)11-21(29)16-3-5-17(19(10-16)27(36,37)38)22(40)12-24(7-8-24)23(41)39(2)13-25(30,31)32/h3-6,9-11,18H,7-8,12-13H2,1-2H3/b21-11-.

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-methyl-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-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 617.91 g/mol, XLogP of 8.70, 8 rotatable bonds, 0 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-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 148605096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).