2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride

C15H20ClF3N2O — CID 119819406

IUPAC2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O.ClH/c16-15(17,18)7-6-11-3-1-4-13(9-11)20-14(21)10-12-5-2-8-19-12;/h1,3-4,9,12,19H,2,5-8,10H2,(H,20,21);1H
InChIKeyQEYNROQDLIALEJ-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.68
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride

2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride (PubChem CID 119819406) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
PubChem CID119819406
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O.ClH/c16-15(17,18)7-6-11-3-1-4-13(9-11)20-14(21)10-12-5-2-8-19-12;/h1,3-4,9,12,19H,2,5-8,10H2,(H,20,21);1H
InChIKeyQEYNROQDLIALEJ-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
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N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
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N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
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CID 61372360

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride (CID 119819406) is 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1cccc(CCC(F)(F)F)c1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride?
The InChIKey is QEYNROQDLIALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c16-15(17,18)7-6-11-3-1-4-13(9-11)20-14(21)10-12-5-2-8-19-12;/h1,3-4,9,12,19H,2,5-8,10H2,(H,20,21);1H.
What are the key properties of 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride?
2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119819406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).