N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide

C17H21F3N2O2 — CID 46430265

IUPACN-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-7-5-12(6-8-14)9-10-21-15(23)11-22-16(24)13-3-1-2-4-13/h5-8,13H,1-4,9-11H2,(H,21,23)(H,22,24)
InChIKeyLLEVXLCTKBIWCE-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.67
Rot. Bonds6

About N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide

N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide (PubChem CID 46430265) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide
PubChem CID46430265
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-7-5-12(6-8-14)9-10-21-15(23)11-22-16(24)13-3-1-2-4-13/h5-8,13H,1-4,9-11H2,(H,21,23)(H,22,24)
InChIKeyLLEVXLCTKBIWCE-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide (CID 46430265) is N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide?
The InChIKey is LLEVXLCTKBIWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)14-7-5-12(6-8-14)9-10-21-15(23)11-22-16(24)13-3-1-2-4-13/h5-8,13H,1-4,9-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide?
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 46430265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).