N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H19F3N2O2 — CID 113130411

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O2/c1-12(22)21(10-7-15(23)20-8-2-3-9-20)14-6-4-5-13(11-14)16(17,18)19/h4-6,11H,2-3,7-10H2,1H3
InChIKeyZDQBXIQNYASGSQ-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.07
Rot. Bonds4

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113130411) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID113130411
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O2/c1-12(22)21(10-7-15(23)20-8-2-3-9-20)14-6-4-5-13(11-14)16(17,18)19/h4-6,11H,2-3,7-10H2,1H3
InChIKeyZDQBXIQNYASGSQ-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130461
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53278261
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113175111
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 113130411) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZDQBXIQNYASGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-12(22)21(10-7-15(23)20-8-2-3-9-20)14-6-4-5-13(11-14)16(17,18)19/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113130411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).