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

C15H11Cl2NO3 — CID 2066150

IUPAC3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO3/c16-11-3-1-9(7-12(11)17)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyVYYLAABGYUJDPD-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.02
Rot. Bonds2

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

3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 2066150) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID2066150
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO3/c16-11-3-1-9(7-12(11)17)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyVYYLAABGYUJDPD-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 2066150) is 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is VYYLAABGYUJDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-11-3-1-9(7-12(11)17)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 324.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 2066150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).