3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C15H12ClNO3 — CID 732524

IUPAC3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-2-10(8-11)15(18)17-12-4-5-13-14(9-12)20-7-6-19-13/h1-5,8-9H,6-7H2,(H,17,18)
InChIKeyYYWHZYMINWWKPQ-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.36
Rot. Bonds2

About 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 732524) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID732524
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-2-10(8-11)15(18)17-12-4-5-13-14(9-12)20-7-6-19-13/h1-5,8-9H,6-7H2,(H,17,18)
InChIKeyYYWHZYMINWWKPQ-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 732524) is 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is YYWHZYMINWWKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-11-3-1-2-10(8-11)15(18)17-12-4-5-13-14(9-12)20-7-6-19-13/h1-5,8-9H,6-7H2,(H,17,18).
What are the key properties of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 289.72 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 732524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).