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

C11H10FNO3 — CID 26086552

IUPACN-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1=COCCO1
InChIInChI=1S/C11H10FNO3/c12-8-2-1-3-9(6-8)13-11(14)10-7-15-4-5-16-10/h1-3,6-7H,4-5H2,(H,13,14)
InChIKeyOPJLQJWNGKYVRX-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.65
Rot. Bonds2

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

N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 26086552) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID26086552
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC NameN-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1=COCCO1
InChIInChI=1S/C11H10FNO3/c12-8-2-1-3-9(6-8)13-11(14)10-7-15-4-5-16-10/h1-3,6-7H,4-5H2,(H,13,14)
InChIKeyOPJLQJWNGKYVRX-UHFFFAOYSA-N
XLogP1.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103789893
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 112831204
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61240817
N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 51072460
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603
N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 99086144
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18083912
N-[4-(4-bromophenyl)sulfanylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8873718
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 60631239

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 26086552) is N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cccc(F)c1)C1=COCCO1.
What is the InChIKey of N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is OPJLQJWNGKYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-2-1-3-9(6-8)13-11(14)10-7-15-4-5-16-10/h1-3,6-7H,4-5H2,(H,13,14).
What are the key properties of N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 223.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 26086552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).