N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide

C16H18F2N2O3 — CID 136566509

IUPACN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESO=C1CCC(CCC(=O)NC2(c3c(F)cccc3F)COC2)N1
InChIInChI=1S/C16H18F2N2O3/c17-11-2-1-3-12(18)15(11)16(8-23-9-16)20-14(22)7-5-10-4-6-13(21)19-10/h1-3,10H,4-9H2,(H,19,21)(H,20,22)
InChIKeyIPXOKYRJEWJRPZ-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.37
Rot. Bonds5

About N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide

N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide (PubChem CID 136566509) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
PubChem CID136566509
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC NameN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESO=C1CCC(CCC(=O)NC2(c3c(F)cccc3F)COC2)N1
InChIInChI=1S/C16H18F2N2O3/c17-11-2-1-3-12(18)15(11)16(8-23-9-16)20-14(22)7-5-10-4-6-13(21)19-10/h1-3,10H,4-9H2,(H,19,21)(H,20,22)
InChIKeyIPXOKYRJEWJRPZ-UHFFFAOYSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The IUPAC name of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide (CID 136566509) is N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The canonical SMILES for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide is O=C1CCC(CCC(=O)NC2(c3c(F)cccc3F)COC2)N1.
What is the InChIKey of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The InChIKey is IPXOKYRJEWJRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-11-2-1-3-12(18)15(11)16(8-23-9-16)20-14(22)7-5-10-4-6-13(21)19-10/h1-3,10H,4-9H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide has a molecular weight of 324.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide is sourced from PubChem (CID 136566509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).