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

C15H20ClF3N2O2 — CID 119553445

IUPACN-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCN(C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-20(12-8-9-19-10-12)14(21)7-4-11-2-5-13(6-3-11)22-15(16,17)18;/h2-3,5-6,12,19H,4,7-10H2,1H3;1H
InChIKeyZTEIQYAIUCMHFN-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.76
Rot. Bonds5

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

N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119553445) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119553445
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC NameN-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCN(C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-20(12-8-9-19-10-12)14(21)7-4-11-2-5-13(6-3-11)22-15(16,17)18;/h2-3,5-6,12,19H,4,7-10H2,1H3;1H
InChIKeyZTEIQYAIUCMHFN-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553266
2-[cyclopropyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119203206
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride (CID 119553445) is N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride is CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is ZTEIQYAIUCMHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c1-20(12-8-9-19-10-12)14(21)7-4-11-2-5-13(6-3-11)22-15(16,17)18;/h2-3,5-6,12,19H,4,7-10H2,1H3;1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.76, 5 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-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119553445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).