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

C15H12FNO3 — CID 2788330

IUPACN-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1COc2ccccc2O1
InChIInChI=1S/C15H12FNO3/c16-10-5-7-11(8-6-10)17-15(18)14-9-19-12-3-1-2-4-13(12)20-14/h1-8,14H,9H2,(H,17,18)
InChIKeyQMLPLBJSVIAAKJ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.60
Rot. Bonds2

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

N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788330) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788330
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC NameN-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1COc2ccccc2O1
InChIInChI=1S/C15H12FNO3/c16-10-5-7-11(8-6-10)17-15(18)14-9-19-12-3-1-2-4-13(12)20-14/h1-8,14H,9H2,(H,17,18)
InChIKeyQMLPLBJSVIAAKJ-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788362
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788363
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
Phenoxyacetanilide
CID 264248
2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 301730
6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
CID 302897
7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 13731295

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788330) is N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc(F)cc1)C1COc2ccccc2O1.
What is the InChIKey of N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is QMLPLBJSVIAAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-10-5-7-11(8-6-10)17-15(18)14-9-19-12-3-1-2-4-13(12)20-14/h1-8,14H,9H2,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 273.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).