N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide

C18H23F3N2O2 — CID 9095217

IUPACN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C18H23F3N2O2/c1-2-23(17(25)13-8-4-3-5-9-13)12-16(24)22-15-11-7-6-10-14(15)18(19,20)21/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)
InChIKeyXXRJWTDJKCAIRO-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.07
Rot. Bonds5

About N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide (PubChem CID 9095217) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
PubChem CID9095217
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C18H23F3N2O2/c1-2-23(17(25)13-8-4-3-5-9-13)12-16(24)22-15-11-7-6-10-14(15)18(19,20)21/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)
InChIKeyXXRJWTDJKCAIRO-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 120617399
N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
CID 46404082
(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
CID 124741327
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide
CID 55965355
(3R)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9095245
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide (CID 9095217) is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCCC1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
The InChIKey is XXRJWTDJKCAIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-2-23(17(25)13-8-4-3-5-9-13)12-16(24)22-15-11-7-6-10-14(15)18(19,20)21/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24).
What are the key properties of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9095217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).