N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

C14H18ClF3N2O2 — CID 119554562

IUPACN-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-19(11-6-7-18-9-11)13(20)8-10-2-4-12(5-3-10)21-14(15,16)17;/h2-5,11,18H,6-9H2,1H3;1H
InChIKeyZTKNDIVLKILBSA-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119554562) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID119554562
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-19(11-6-7-18-9-11)13(20)8-10-2-4-12(5-3-10)21-14(15,16)17;/h2-5,11,18H,6-9H2,1H3;1H
InChIKeyZTKNDIVLKILBSA-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119553445
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553066
3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553266
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (CID 119554562) is N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is ZTKNDIVLKILBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c1-19(11-6-7-18-9-11)13(20)8-10-2-4-12(5-3-10)21-14(15,16)17;/h2-5,11,18H,6-9H2,1H3;1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119554562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).