N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H17ClF4N2O2 — CID 119702559

IUPACN-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H16F4N2O2.ClH/c15-9-3-4-12(22-8-14(16,17)18)11(6-9)20-13(21)7-10-2-1-5-19-10;/h3-4,6,10,19H,1-2,5,7-8H2,(H,20,21);1H
InChIKeyYTTAKXBFZZFJFG-UHFFFAOYSA-N
MW356.75 g/mol
LogP3.27
Rot. Bonds5

About N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119702559) has the molecular formula C14H17ClF4N2O2 and a molecular weight of 356.75 g/mol. Its IUPAC name is N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119702559
Molecular FormulaC14H17ClF4N2O2
Molecular Weight356.75 g/mol
Exact Mass356.09
IUPAC NameN-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H16F4N2O2.ClH/c15-9-3-4-12(22-8-14(16,17)18)11(6-9)20-13(21)7-10-2-1-5-19-10;/h3-4,6,10,19H,1-2,5,7-8H2,(H,20,21);1H
InChIKeyYTTAKXBFZZFJFG-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119756535
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-piperidin-2-ylacetamide
CID 63047528
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778655
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119324692
N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 106633280
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119702559) is N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1cc(F)ccc1OCC(F)(F)F.
What is the InChIKey of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is YTTAKXBFZZFJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2.ClH/c15-9-3-4-12(22-8-14(16,17)18)11(6-9)20-13(21)7-10-2-1-5-19-10;/h3-4,6,10,19H,1-2,5,7-8H2,(H,20,21);1H.
What are the key properties of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 356.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119702559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).