2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C15H19F3N2O3 — CID 110019704

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(O)C1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O3/c1-10(21)11-6-7-20(8-11)9-14(22)19-12-2-4-13(5-3-12)23-15(16,17)18/h2-5,10-11,21H,6-9H2,1H3,(H,19,22)
InChIKeyAREAORXDVYMSML-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.23
Rot. Bonds5

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 110019704) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID110019704
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(O)C1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O3/c1-10(21)11-6-7-20(8-11)9-14(22)19-12-2-4-13(5-3-12)23-15(16,17)18/h2-5,10-11,21H,6-9H2,1H3,(H,19,22)
InChIKeyAREAORXDVYMSML-UHFFFAOYSA-N
XLogP2.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
N-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019679
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804725
2-(4-pyridin-2-ylpiperidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 68873568
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020912
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[4-(cyclopropylcarbamothioyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7516305

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 110019704) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(O)C1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AREAORXDVYMSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10(21)11-6-7-20(8-11)9-14(22)19-12-2-4-13(5-3-12)23-15(16,17)18/h2-5,10-11,21H,6-9H2,1H3,(H,19,22).
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 332.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 110019704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).