N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide

C12H13F2NO3 — CID 70819782

IUPACN-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide
SMILESCC1OC(C(C)C(=O)Nc2cc(F)ccc2F)O1
InChIInChI=1S/C12H13F2NO3/c1-6(12-17-7(2)18-12)11(16)15-10-5-8(13)3-4-9(10)14/h3-7,12H,1-2H3,(H,15,16)
InChIKeySXONXDDEARQJHA-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.26
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide

N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide (PubChem CID 70819782) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide
PubChem CID70819782
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC NameN-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide
SMILESCC1OC(C(C)C(=O)Nc2cc(F)ccc2F)O1
InChIInChI=1S/C12H13F2NO3/c1-6(12-17-7(2)18-12)11(16)15-10-5-8(13)3-4-9(10)14/h3-7,12H,1-2H3,(H,15,16)
InChIKeySXONXDDEARQJHA-UHFFFAOYSA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide (CID 70819782) is N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide is CC1OC(C(C)C(=O)Nc2cc(F)ccc2F)O1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide?
The InChIKey is SXONXDDEARQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c1-6(12-17-7(2)18-12)11(16)15-10-5-8(13)3-4-9(10)14/h3-7,12H,1-2H3,(H,15,16).
What are the key properties of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide?
N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide has a molecular weight of 257.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide is sourced from PubChem (CID 70819782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).