N-(1,3-benzodioxol-5-ylmethyl)benzamide

C15H13NO3 — CID 2306549

IUPACN-(1,3-benzodioxol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h1-8H,9-10H2,(H,16,17)
InChIKeyZHSOGONPVBHPEW-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.35
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)benzamide (PubChem CID 2306549) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)benzamide
PubChem CID2306549
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h1-8H,9-10H2,(H,16,17)
InChIKeyZHSOGONPVBHPEW-UHFFFAOYSA-N
XLogP2.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)benzamide (CID 2306549) is N-(1,3-benzodioxol-5-ylmethyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)benzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The InChIKey is ZHSOGONPVBHPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h1-8H,9-10H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)benzamide has a molecular weight of 255.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)benzamide is sourced from PubChem (CID 2306549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).