cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C19H22F6N2O2 — CID 51958265

IUPACcis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C19H22F6N2O2/c1-2-8-27(18(29)11-4-3-5-12(9-11)19(23,24)25)10-15(28)26-14-7-6-13(20)16(21)17(14)22/h6-7,11-12H,2-5,8-10H2,1H3,(H,26,28)/t11-,12+/m1/s1
InChIKeyXQGKFBNCMORABU-NEPJUHHUSA-N
MW424.39 g/mol
LogP4.65
Rot. Bonds6

About cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 51958265) has the molecular formula C19H22F6N2O2 and a molecular weight of 424.39 g/mol. Its IUPAC name is cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID51958265
Molecular FormulaC19H22F6N2O2
Molecular Weight424.39 g/mol
Exact Mass424.16
IUPAC Namecis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C19H22F6N2O2/c1-2-8-27(18(29)11-4-3-5-12(9-11)19(23,24)25)10-15(28)26-14-7-6-13(20)16(21)17(14)22/h6-7,11-12H,2-5,8-10H2,1H3,(H,26,28)/t11-,12+/m1/s1
InChIKeyXQGKFBNCMORABU-NEPJUHHUSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.65
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

3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119682416
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 119682443
1-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpiperidine-3-carboxamide
CID 55556172
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
CID 2534365
1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 46554924
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
4-(cyclohexylcarbamoylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbutanamide
CID 55515505
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride
CID 119682430

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 51958265) is cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is XQGKFBNCMORABU-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H22F6N2O2/c1-2-8-27(18(29)11-4-3-5-12(9-11)19(23,24)25)10-15(28)26-14-7-6-13(20)16(21)17(14)22/h6-7,11-12H,2-5,8-10H2,1H3,(H,26,28)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 424.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51958265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).