N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide

C14H17F3N2O — CID 953311

IUPACN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C14H17F3N2O/c1-2-13(20)18-11-9-10(14(15,16)17)5-6-12(11)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyWBTXISAGTSSXRS-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.65
Rot. Bonds3

About N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide

N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 953311) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID953311
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C14H17F3N2O/c1-2-13(20)18-11-9-10(14(15,16)17)5-6-12(11)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyWBTXISAGTSSXRS-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide (CID 953311) is N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WBTXISAGTSSXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-13(20)18-11-9-10(14(15,16)17)5-6-12(11)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide?
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 286.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 953311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).