N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide

C19H15F2NO3 — CID 136566515

IUPACN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1CC(C(=O)NC2(c3c(F)cccc3F)COC2)c2ccccc21
InChIInChI=1S/C19H15F2NO3/c20-14-6-3-7-15(21)17(14)19(9-25-10-19)22-18(24)13-8-16(23)12-5-2-1-4-11(12)13/h1-7,13H,8-10H2,(H,22,24)
InChIKeyDCKBDMMNIBVSOD-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.68
Rot. Bonds3

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

N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 136566515) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID136566515
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC NameN-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1CC(C(=O)NC2(c3c(F)cccc3F)COC2)c2ccccc21
InChIInChI=1S/C19H15F2NO3/c20-14-6-3-7-15(21)17(14)19(9-25-10-19)22-18(24)13-8-16(23)12-5-2-1-4-11(12)13/h1-7,13H,8-10H2,(H,22,24)
InChIKeyDCKBDMMNIBVSOD-UHFFFAOYSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
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-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide (CID 136566515) is N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide is O=C1CC(C(=O)NC2(c3c(F)cccc3F)COC2)c2ccccc21.
What is the InChIKey of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is DCKBDMMNIBVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c20-14-6-3-7-15(21)17(14)19(9-25-10-19)22-18(24)13-8-16(23)12-5-2-1-4-11(12)13/h1-7,13H,8-10H2,(H,22,24).
What are the key properties of N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide?
N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 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-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 136566515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).