N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide

C16H15NO3 — CID 2821755

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-16(12-6-2-1-3-7-12)17-10-13-11-19-14-8-4-5-9-15(14)20-13/h1-9,13H,10-11H2,(H,17,18)
InChIKeyFLMFZENQMHQMJO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.26
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide (PubChem CID 2821755) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
PubChem CID2821755
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-16(12-6-2-1-3-7-12)17-10-13-11-19-14-8-4-5-9-15(14)20-13/h1-9,13H,10-11H2,(H,17,18)
InChIKeyFLMFZENQMHQMJO-UHFFFAOYSA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide (CID 2821755) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide is O=C(NCC1COc2ccccc2O1)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The InChIKey is FLMFZENQMHQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-16(12-6-2-1-3-7-12)17-10-13-11-19-14-8-4-5-9-15(14)20-13/h1-9,13H,10-11H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide has a molecular weight of 269.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide is sourced from PubChem (CID 2821755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).