N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide

C17H16F2N2O3 — CID 167815762

IUPACN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NC1(c2c(F)cccc2F)COC1
InChIInChI=1S/C17H16F2N2O3/c18-12-4-3-5-13(19)16(12)17(10-24-11-17)20-14(22)7-9-21-8-2-1-6-15(21)23/h1-6,8H,7,9-11H2,(H,20,22)
InChIKeyOBPMEBPCQKYFGK-UHFFFAOYSA-N
MW334.32 g/mol
LogP1.56
Rot. Bonds5

About N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide

N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 167815762) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID167815762
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NC1(c2c(F)cccc2F)COC1
InChIInChI=1S/C17H16F2N2O3/c18-12-4-3-5-13(19)16(12)17(10-24-11-17)20-14(22)7-9-21-8-2-1-6-15(21)23/h1-6,8H,7,9-11H2,(H,20,22)
InChIKeyOBPMEBPCQKYFGK-UHFFFAOYSA-N
XLogP1.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide (CID 167815762) is N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)NC1(c2c(F)cccc2F)COC1.
What is the InChIKey of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is OBPMEBPCQKYFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-12-4-3-5-13(19)16(12)17(10-24-11-17)20-14(22)7-9-21-8-2-1-6-15(21)23/h1-6,8H,7,9-11H2,(H,20,22).
What are the key properties of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 334.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 167815762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).