N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C13H23F3N2O — CID 63144018

IUPACN-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(F)(F)F)C(C)C)CCNC1
InChIInChI=1S/C13H23F3N2O/c1-4-5-12(6-7-17-8-12)11(19)18(10(2)3)9-13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyXGUNTEIMIKNCPJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds5

About N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63144018) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63144018
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(F)(F)F)C(C)C)CCNC1
InChIInChI=1S/C13H23F3N2O/c1-4-5-12(6-7-17-8-12)11(19)18(10(2)3)9-13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyXGUNTEIMIKNCPJ-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63144018) is N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)N(CC(F)(F)F)C(C)C)CCNC1.
What is the InChIKey of N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is XGUNTEIMIKNCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-5-12(6-7-17-8-12)11(19)18(10(2)3)9-13(14,15)16/h10,17H,4-9H2,1-3H3.
What are the key properties of N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63144018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).