7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C9H8ClNO3 — CID 141056369

IUPAC7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESNC(=O)c1cc(Cl)cc2c1OCCO2
InChIInChI=1S/C9H8ClNO3/c10-5-3-6(9(11)12)8-7(4-5)13-1-2-14-8/h3-4H,1-2H2,(H2,11,12)
InChIKeyDZQZTLFYBCKHPQ-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.21
Rot. Bonds1

About 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide

7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 141056369) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID141056369
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESNC(=O)c1cc(Cl)cc2c1OCCO2
InChIInChI=1S/C9H8ClNO3/c10-5-3-6(9(11)12)8-7(4-5)13-1-2-14-8/h3-4H,1-2H2,(H2,11,12)
InChIKeyDZQZTLFYBCKHPQ-UHFFFAOYSA-N
XLogP1.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 65375407
7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71069129
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113
2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide
CID 58294013
3-bromo-2,5-dichlorobenzamide
CID 131599127
2-amino-1-(5-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 84704016
7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine
CID 143319949
8-chloro-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 11279261
8-chloro-N-[[(4S)-3-hydroxypiperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 70883979
2-amino-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 60795333
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
CID 10560433

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 141056369) is 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide is NC(=O)c1cc(Cl)cc2c1OCCO2.
What is the InChIKey of 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is DZQZTLFYBCKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-5-3-6(9(11)12)8-7(4-5)13-1-2-14-8/h3-4H,1-2H2,(H2,11,12).
What are the key properties of 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 213.62 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 141056369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).