N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H21F3N2O2 — CID 63710047

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(N(CCO)C1CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-9-12)11(20)18(7-8-19)10-3-1-2-4-10/h10,17,19H,1-9H2
InChIKeyNEPFIVPIGKASGC-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.29
Rot. Bonds4

About N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710047) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710047
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(N(CCO)C1CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-9-12)11(20)18(7-8-19)10-3-1-2-4-10/h10,17,19H,1-9H2
InChIKeyNEPFIVPIGKASGC-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710047) is N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(N(CCO)C1CCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NEPFIVPIGKASGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-9-12)11(20)18(7-8-19)10-3-1-2-4-10/h10,17,19H,1-9H2.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).