N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride

C16H22ClF3N2O2 — CID 119532019

IUPACN-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-2-9-21(13-7-8-20-10-13)15(22)11-23-14-5-3-12(4-6-14)16(17,18)19;/h3-6,13,20H,2,7-11H2,1H3;1H
InChIKeyUNMHGEBFXVWSHG-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.11
Rot. Bonds6

About N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride

N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride (PubChem CID 119532019) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
PubChem CID119532019
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC NameN-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-2-9-21(13-7-8-20-10-13)15(22)11-23-14-5-3-12(4-6-14)16(17,18)19;/h3-6,13,20H,2,7-11H2,1H3;1H
InChIKeyUNMHGEBFXVWSHG-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119825007
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride (CID 119532019) is N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride is CCCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCNC1.Cl.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The InChIKey is UNMHGEBFXVWSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-2-9-21(13-7-8-20-10-13)15(22)11-23-14-5-3-12(4-6-14)16(17,18)19;/h3-6,13,20H,2,7-11H2,1H3;1H.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119532019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).