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

C11H9ClFNO3 — CID 18082593

IUPACN-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)C1=COCCO1
InChIInChI=1S/C11H9ClFNO3/c12-7-1-2-8(13)9(5-7)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyQUTHTXAXNCWWAJ-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.31
Rot. Bonds2

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

N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18082593) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18082593
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC NameN-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)C1=COCCO1
InChIInChI=1S/C11H9ClFNO3/c12-7-1-2-8(13)9(5-7)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyQUTHTXAXNCWWAJ-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18082593) is N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(Cl)ccc1F)C1=COCCO1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QUTHTXAXNCWWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c12-7-1-2-8(13)9(5-7)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-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 257.65 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18082593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).