2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide

C11H5Cl4NO3 — CID 23332919

IUPAC2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=C(Cl)Cl)OC(=C(Cl)Cl)O2
InChIInChI=1S/C11H5Cl4NO3/c12-8(13)7-5-3-4(10(16)17)1-2-6(5)18-11(19-7)9(14)15/h1-3H,(H2,16,17)
InChIKeyUPUUHROFTBJWRC-UHFFFAOYSA-N
MW340.98 g/mol
LogP3.90
Rot. Bonds1

About 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide

2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide (PubChem CID 23332919) has the molecular formula C11H5Cl4NO3 and a molecular weight of 340.98 g/mol. Its IUPAC name is 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide.

Molecular Properties

Compound Name2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide
PubChem CID23332919
Molecular FormulaC11H5Cl4NO3
Molecular Weight340.98 g/mol
Exact Mass338.90
IUPAC Name2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=C(Cl)Cl)OC(=C(Cl)Cl)O2
InChIInChI=1S/C11H5Cl4NO3/c12-8(13)7-5-3-4(10(16)17)1-2-6(5)18-11(19-7)9(14)15/h1-3H,(H2,16,17)
InChIKeyUPUUHROFTBJWRC-UHFFFAOYSA-N
XLogP3.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.98
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzotrioxole-5-carboxamide
CID 141463009
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
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CID 163538336
18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide
CID 70508760
3-chloro-4-iodobenzamide
CID 94675118
2-oxo-1,3-benzodioxole-5-carboxamide
CID 21398782
2-ethyl-1,3-benzodioxole-5-carboxamide
CID 137423429
1,2-benzodioxine-6-carboxamide
CID 87550689
3-[4-(5-carbamoyl-2-phenylphenyl)phenyl]-4-phenylbenzamide
CID 141346150
3-chloro-4-hydroxybenzamide
CID 22932347
1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
CID 163933343
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide?
The IUPAC name of 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide (CID 23332919) is 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide.
What is the SMILES notation for 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide?
The canonical SMILES for 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide is NC(=O)c1ccc2c(c1)C(=C(Cl)Cl)OC(=C(Cl)Cl)O2.
What is the InChIKey of 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide?
The InChIKey is UPUUHROFTBJWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4NO3/c12-8(13)7-5-3-4(10(16)17)1-2-6(5)18-11(19-7)9(14)15/h1-3H,(H2,16,17).
What are the key properties of 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide?
2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide has a molecular weight of 340.98 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(dichloromethylidene)-1,3-benzodioxine-6-carboxamide is sourced from PubChem (CID 23332919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).