N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C11H9F2NO3 — CID 18170542

IUPACN-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1=COCCO1
InChIInChI=1S/C11H9F2NO3/c12-8-2-1-7(5-9(8)13)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyNIKXAIATNADLKO-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.79
Rot. Bonds2

About N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18170542) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18170542
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC NameN-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1=COCCO1
InChIInChI=1S/C11H9F2NO3/c12-8-2-1-7(5-9(8)13)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyNIKXAIATNADLKO-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18170542) is N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1=COCCO1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is NIKXAIATNADLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-8-2-1-7(5-9(8)13)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15).
What are the key properties of N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 241.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18170542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).