N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide

C16H19F3N2O2 — CID 8503372

IUPACN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCC1
InChIInChI=1S/C16H19F3N2O2/c1-21(15(23)11-6-2-3-7-11)10-14(22)20-13-9-5-4-8-12(13)16(17,18)19/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,20,22)
InChIKeyHBFHMULTDCGGRA-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.29
Rot. Bonds4

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

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide (PubChem CID 8503372) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
PubChem CID8503372
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCC1
InChIInChI=1S/C16H19F3N2O2/c1-21(15(23)11-6-2-3-7-11)10-14(22)20-13-9-5-4-8-12(13)16(17,18)19/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,20,22)
InChIKeyHBFHMULTDCGGRA-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
(2S)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24545782
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8559717
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
CID 2534365

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide (CID 8503372) is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide?
The InChIKey is HBFHMULTDCGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-21(15(23)11-6-2-3-7-11)10-14(22)20-13-9-5-4-8-12(13)16(17,18)19/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,20,22).
What are the key properties of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide?
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 8503372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).