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

C13H16ClF3N2O — CID 119452098

IUPACN-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCNC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-3-1-9(2-4-10)7-12(19)18-11-5-6-17-8-11;/h1-4,11,17H,5-8H2,(H,18,19);1H
InChIKeyLAYUXBIBEHFXMG-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.15
Rot. Bonds3

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

N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119452098) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119452098
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC NameN-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCNC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-3-1-9(2-4-10)7-12(19)18-11-5-6-17-8-11;/h1-4,11,17H,5-8H2,(H,18,19);1H
InChIKeyLAYUXBIBEHFXMG-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 119452098) is N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is Cl.O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is LAYUXBIBEHFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-3-1-9(2-4-10)7-12(19)18-11-5-6-17-8-11;/h1-4,11,17H,5-8H2,(H,18,19);1H.
What are the key properties of N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119452098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).