N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H14ClNO4 — CID 2896747

IUPACN-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H14ClNO4/c1-20-12-7-6-10(17)8-11(12)18-16(19)15-9-21-13-4-2-3-5-14(13)22-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKeyZWGFOKPQERISQH-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.13
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2896747) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2896747
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H14ClNO4/c1-20-12-7-6-10(17)8-11(12)18-16(19)15-9-21-13-4-2-3-5-14(13)22-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKeyZWGFOKPQERISQH-UHFFFAOYSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2896747) is N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is ZWGFOKPQERISQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-20-12-7-6-10(17)8-11(12)18-16(19)15-9-21-13-4-2-3-5-14(13)22-15/h2-8,15H,9H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 319.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2896747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).