N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C15H19F3N2O — CID 103977076

IUPACN-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C15H19F3N2O/c1-10(12-6-7-19-9-12)20-14(21)8-11-2-4-13(5-3-11)15(16,17)18/h2-5,10,12,19H,6-9H2,1H3,(H,20,21)
InChIKeyXYQPTGZVWJBBNZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.36
Rot. Bonds4

About N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 103977076) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID103977076
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C15H19F3N2O/c1-10(12-6-7-19-9-12)20-14(21)8-11-2-4-13(5-3-11)15(16,17)18/h2-5,10,12,19H,6-9H2,1H3,(H,20,21)
InChIKeyXYQPTGZVWJBBNZ-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 103977076) is N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCNC1.
What is the InChIKey of N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XYQPTGZVWJBBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(12-6-7-19-9-12)20-14(21)8-11-2-4-13(5-3-11)15(16,17)18/h2-5,10,12,19H,6-9H2,1H3,(H,20,21).
What are the key properties of N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 103977076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).