2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C16H23FN2O2 — CID 47019478

IUPAC2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-12(11-21-2)18-16(20)10-19-9-3-4-15(19)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyPXNFAORLBWFOLE-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 47019478) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID47019478
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-12(11-21-2)18-16(20)10-19-9-3-4-15(19)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyPXNFAORLBWFOLE-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 47019478) is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is PXNFAORLBWFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(11-21-2)18-16(20)10-19-9-3-4-15(19)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 47019478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).