3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide

C16H16N2O3 — CID 28650742

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H16N2O3/c17-16(19)12-2-1-3-13(9-12)18-10-11-4-5-14-15(8-11)21-7-6-20-14/h1-5,8-9,18H,6-7,10H2,(H2,17,19)
InChIKeyXMLHBFUUICSMTK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.17
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide

3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide (PubChem CID 28650742) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
PubChem CID28650742
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H16N2O3/c17-16(19)12-2-1-3-13(9-12)18-10-11-4-5-14-15(8-11)21-7-6-20-14/h1-5,8-9,18H,6-7,10H2,(H2,17,19)
InChIKeyXMLHBFUUICSMTK-UHFFFAOYSA-N
XLogP2.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]propanoic acid
CID 122044428
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
3-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]methyl]benzamide
CID 119110648
4-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzamide
CID 43736492
3-[[[N-(1,3-benzodioxol-5-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111846291
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46430226
3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
CID 62097018

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide (CID 28650742) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide is NC(=O)c1cccc(NCc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide?
The InChIKey is XMLHBFUUICSMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-16(19)12-2-1-3-13(9-12)18-10-11-4-5-14-15(8-11)21-7-6-20-14/h1-5,8-9,18H,6-7,10H2,(H2,17,19).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide?
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide is sourced from PubChem (CID 28650742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).