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

C15H11Cl2NO3 — CID 777312

IUPAC2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19)
InChIKeyNCPUCAAKQCJYOG-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.02
Rot. Bonds2

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

2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 777312) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID777312
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19)
InChIKeyNCPUCAAKQCJYOG-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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 4198574
8-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100794839
5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 28723038
4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2-carboxamide
CID 37167618
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109268988
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723451
(E)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 895562
3-(chloromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 43333468
4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 777312) is 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is NCPUCAAKQCJYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)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 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
2,6-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 2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 777312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).