N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H21F3N2O — CID 55227836

IUPACN-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O/c1-18(8-10-4-2-3-5-10)11(19)12(13(14,15)16)6-7-17-9-12/h10,17H,2-9H2,1H3
InChIKeyUMWZJIGBQZUUAU-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds3

About N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227836) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227836
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O/c1-18(8-10-4-2-3-5-10)11(19)12(13(14,15)16)6-7-17-9-12/h10,17H,2-9H2,1H3
InChIKeyUMWZJIGBQZUUAU-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227836) is N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(CC1CCCC1)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UMWZJIGBQZUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-18(8-10-4-2-3-5-10)11(19)12(13(14,15)16)6-7-17-9-12/h10,17H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).