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

C15H11Cl2NO3 — CID 775158

IUPAC2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-11-3-1-2-10(14(11)17)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19)
InChIKeyNSDCAHILTQJLME-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.02
Rot. Bonds2

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

2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 775158) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID775158
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-11-3-1-2-10(14(11)17)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19)
InChIKeyNSDCAHILTQJLME-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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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732530
3-(3,4-Dichloro-phenyl)-1 (4methoxy-3-(2-piperidin-1-yl-ethoxy)-phenyl]-1,5-dihydro-pyrrol-2-one
CID 24887518
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
3,4-dichloro-N-(3-methoxyphenyl)benzamide
CID 835122
2-Chloro-M-benzanisidide
CID 687085
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide
CID 675323
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
4-Chloro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzamide
CID 732523
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732524
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 775158) is 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is NSDCAHILTQJLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-11-3-1-2-10(14(11)17)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19).
What are the key properties of 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
2,3-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 2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 775158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).