N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide

C10H16F3N3O2 — CID 119737430

IUPACN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CNC(=O)CC1CCCN1)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)6-16-9(18)5-15-8(17)4-7-2-1-3-14-7/h7,14H,1-6H2,(H,15,17)(H,16,18)
InChIKeyHDGBWULBNWUGTF-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119737430) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119737430
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CNC(=O)CC1CCCN1)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)6-16-9(18)5-15-8(17)4-7-2-1-3-14-7/h7,14H,1-6H2,(H,15,17)(H,16,18)
InChIKeyHDGBWULBNWUGTF-UHFFFAOYSA-N
XLogP-0.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291855
N-[2-(ethylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689765
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N-(2-ethyl-2-methylsulfanylbutyl)-2-pyrrolidin-2-ylacetamide
CID 103812569
2-pyrrolidin-2-yl-N-(2,2,4-trimethylpentyl)acetamide
CID 115160242
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106616413
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828479
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372732
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119898449

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119737430) is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide is O=C(CNC(=O)CC1CCCN1)NCC(F)(F)F.
What is the InChIKey of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is HDGBWULBNWUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c11-10(12,13)6-16-9(18)5-15-8(17)4-7-2-1-3-14-7/h7,14H,1-6H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 267.25 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119737430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).