4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide

C16H14FNO3 — CID 3457663

IUPAC4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)cc2c1OCCO2
InChIInChI=1S/C16H14FNO3/c1-10-8-13(9-14-15(10)21-7-6-20-14)18-16(19)11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyWBOAZXAQMHXILT-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.16
Rot. Bonds2

About 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide

4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide (PubChem CID 3457663) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
PubChem CID3457663
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)cc2c1OCCO2
InChIInChI=1S/C16H14FNO3/c1-10-8-13(9-14-15(10)21-7-6-20-14)18-16(19)11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyWBOAZXAQMHXILT-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
7-[(4-bromo-3-methylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 54159306
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
CID 20630819
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-hydroxy-3-methylbenzoic acid
CID 28671037
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55699393
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
CID 36653806
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide (CID 3457663) is 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide is Cc1cc(NC(=O)c2ccc(F)cc2)cc2c1OCCO2.
What is the InChIKey of 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
The InChIKey is WBOAZXAQMHXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-8-13(9-14-15(10)21-7-6-20-14)18-16(19)11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide?
4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide is sourced from PubChem (CID 3457663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).