5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C23H19NO5 — CID 5303786

IUPAC5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2C(=O)c2ccccc2)OCCO3)c1
InChIInChI=1S/C23H19NO5/c1-27-17-9-5-8-16(14-17)24-23(26)18-10-11-19-22(29-13-12-28-19)20(18)21(25)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,24,26)
InChIKeyUMTOKBVZCWGIKZ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.95
Rot. Bonds5

About 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 5303786) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID5303786
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2C(=O)c2ccccc2)OCCO3)c1
InChIInChI=1S/C23H19NO5/c1-27-17-9-5-8-16(14-17)24-23(26)18-10-11-19-22(29-13-12-28-19)20(18)21(25)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,24,26)
InChIKeyUMTOKBVZCWGIKZ-UHFFFAOYSA-N
XLogP3.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2579090
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 24658003
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
CID 68975139
[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
CID 837711
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 5303786) is 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1cccc(NC(=O)c2ccc3c(c2C(=O)c2ccccc2)OCCO3)c1.
What is the InChIKey of 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is UMTOKBVZCWGIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-27-17-9-5-8-16(14-17)24-23(26)18-10-11-19-22(29-13-12-28-19)20(18)21(25)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,24,26).
What are the key properties of 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 5303786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).