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

C14H23F3N2O2 — CID 63710041

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(N(CCO)C1CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)13(6-7-18-10-13)12(21)19(8-9-20)11-4-2-1-3-5-11/h11,18,20H,1-10H2
InChIKeyVUMDAICUELPWBL-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.68
Rot. Bonds4

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

N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710041) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710041
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(N(CCO)C1CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)13(6-7-18-10-13)12(21)19(8-9-20)11-4-2-1-3-5-11/h11,18,20H,1-10H2
InChIKeyVUMDAICUELPWBL-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710041) is N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(N(CCO)C1CCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VUMDAICUELPWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)13(6-7-18-10-13)12(21)19(8-9-20)11-4-2-1-3-5-11/h11,18,20H,1-10H2.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).