2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide

C15H19F3N2O — CID 119808865

IUPAC2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
SMILESO=C(CC1CCCN1)Nc1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)8-7-11-3-5-12(6-4-11)20-14(21)10-13-2-1-9-19-13/h3-6,13,19H,1-2,7-10H2,(H,20,21)
InChIKeyPUKVBRKAUQQSAS-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.26
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide

2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide (PubChem CID 119808865) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
PubChem CID119808865
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
SMILESO=C(CC1CCCN1)Nc1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)8-7-11-3-5-12(6-4-11)20-14(21)10-13-2-1-9-19-13/h3-6,13,19H,1-2,7-10H2,(H,20,21)
InChIKeyPUKVBRKAUQQSAS-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
CID 119819406
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide (CID 119808865) is 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide is O=C(CC1CCCN1)Nc1ccc(CCC(F)(F)F)cc1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide?
The InChIKey is PUKVBRKAUQQSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)8-7-11-3-5-12(6-4-11)20-14(21)10-13-2-1-9-19-13/h3-6,13,19H,1-2,7-10H2,(H,20,21).
What are the key properties of 2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide?
2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 3.26, 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-[4-(3,3,3-trifluoropropyl)phenyl]acetamide is sourced from PubChem (CID 119808865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).