3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide

C16H19F3N2O3 — CID 45244432

IUPAC3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccc(CCN2CC(NC(=O)CC(F)(F)F)CC2=O)cc1
InChIInChI=1S/C16H19F3N2O3/c1-24-13-4-2-11(3-5-13)6-7-21-10-12(8-15(21)23)20-14(22)9-16(17,18)19/h2-5,12H,6-10H2,1H3,(H,20,22)
InChIKeyIDQCQGMSWSGARV-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.91
Rot. Bonds6

About 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide

3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 45244432) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
PubChem CID45244432
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccc(CCN2CC(NC(=O)CC(F)(F)F)CC2=O)cc1
InChIInChI=1S/C16H19F3N2O3/c1-24-13-4-2-11(3-5-13)6-7-21-10-12(8-15(21)23)20-14(22)9-16(17,18)19/h2-5,12H,6-10H2,1H3,(H,20,22)
InChIKeyIDQCQGMSWSGARV-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide (CID 45244432) is 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide is COc1ccc(CCN2CC(NC(=O)CC(F)(F)F)CC2=O)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is IDQCQGMSWSGARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-24-13-4-2-11(3-5-13)6-7-21-10-12(8-15(21)23)20-14(22)9-16(17,18)19/h2-5,12H,6-10H2,1H3,(H,20,22).
What are the key properties of 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 344.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 45244432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).