N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide

C17H23F3N2O — CID 119537602

IUPACN-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCCC1CCNC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O/c1-12(14-4-2-3-5-15(14)17(18,19)20)10-16(23)22-9-7-13-6-8-21-11-13/h2-5,12-13,21H,6-11H2,1H3,(H,22,23)
InChIKeySSDGBTDIVCYPGJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.31
Rot. Bonds6

About N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide

N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 119537602) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID119537602
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCCC1CCNC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O/c1-12(14-4-2-3-5-15(14)17(18,19)20)10-16(23)22-9-7-13-6-8-21-11-13/h2-5,12-13,21H,6-11H2,1H3,(H,22,23)
InChIKeySSDGBTDIVCYPGJ-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524
2-[2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]ethylsulfanyl]acetic acid
CID 119242380
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119557143
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide (CID 119537602) is N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NCCC1CCNC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is SSDGBTDIVCYPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12(14-4-2-3-5-15(14)17(18,19)20)10-16(23)22-9-7-13-6-8-21-11-13/h2-5,12-13,21H,6-11H2,1H3,(H,22,23).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 328.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119537602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).