N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide

C22H16FNO4 — CID 36653806

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16FNO4/c23-15-7-5-14(6-8-15)21(25)17-3-1-2-4-18(17)22(26)24-16-9-10-19-20(13-16)28-12-11-27-19/h1-10,13H,11-12H2,(H,24,26)
InChIKeyJFDYFMXKFUPSPU-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.08
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide (PubChem CID 36653806) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
PubChem CID36653806
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16FNO4/c23-15-7-5-14(6-8-15)21(25)17-3-1-2-4-18(17)22(26)24-16-9-10-19-20(13-16)28-12-11-27-19/h1-10,13H,11-12H2,(H,24,26)
InChIKeyJFDYFMXKFUPSPU-UHFFFAOYSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-difluorobenzamide
CID 30501354
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110410101
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
CID 766923
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-fluorobenzamide
CID 888685
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide (CID 36653806) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide?
The InChIKey is JFDYFMXKFUPSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c23-15-7-5-14(6-8-15)21(25)17-3-1-2-4-18(17)22(26)24-16-9-10-19-20(13-16)28-12-11-27-19/h1-10,13H,11-12H2,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide has a molecular weight of 377.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide is sourced from PubChem (CID 36653806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).