N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide

C15H19F3N2O2 — CID 119552820

IUPACN-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N(C)C1CCNC1
InChIInChI=1S/C15H19F3N2O2/c1-10(14(21)20(2)11-7-8-19-9-11)22-13-6-4-3-5-12(13)15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyQIUAJHKGMQLZNZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide

N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 119552820) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID119552820
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N(C)C1CCNC1
InChIInChI=1S/C15H19F3N2O2/c1-10(14(21)20(2)11-7-8-19-9-11)22-13-6-4-3-5-12(13)15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyQIUAJHKGMQLZNZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119441988
N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
CID 119551706
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
N-methyl-2-(4-methylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442967

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 119552820) is N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide is CC(Oc1ccccc1C(F)(F)F)C(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is QIUAJHKGMQLZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10(14(21)20(2)11-7-8-19-9-11)22-13-6-4-3-5-12(13)15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide?
N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 316.32 g/mol, XLogP of 2.29, 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-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 119552820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).