N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide

C15H19F3N2O2 — CID 119513413

IUPACN-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)NCC1CCCN1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-6-3-11(4-7-13)5-8-14(21)20-10-12-2-1-9-19-12/h3-4,6-7,12,19H,1-2,5,8-10H2,(H,20,21)
InChIKeyYHWJBSFRWUSLCS-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.39
Rot. Bonds6

About N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide

N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 119513413) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID119513413
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)NCC1CCCN1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-6-3-11(4-7-13)5-8-14(21)20-10-12-2-1-9-19-12/h3-4,6-7,12,19H,1-2,5,8-10H2,(H,20,21)
InChIKeyYHWJBSFRWUSLCS-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119464429
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511111
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514046

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide (CID 119513413) is N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CCc1ccc(OC(F)(F)F)cc1)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is YHWJBSFRWUSLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-6-3-11(4-7-13)5-8-14(21)20-10-12-2-1-9-19-12/h3-4,6-7,12,19H,1-2,5,8-10H2,(H,20,21).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 316.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 119513413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).