5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C17H16ClNO4 — CID 17436108

IUPAC5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C17H16ClNO4/c1-2-21-14-6-4-3-5-13(14)19-17(20)11-9-12(18)16-15(10-11)22-7-8-23-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyYEYXTSWKPJNFJB-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 17436108) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID17436108
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C17H16ClNO4/c1-2-21-14-6-4-3-5-13(14)19-17(20)11-9-12(18)16-15(10-11)22-7-8-23-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyYEYXTSWKPJNFJB-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 30236034
5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55888566
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8995275
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 55363178
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
N-(2-benzylphenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 9192448
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687
5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55806733
6-chloro-N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 55387685
5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27648173
5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55471495

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 17436108) is 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is YEYXTSWKPJNFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-2-21-14-6-4-3-5-13(14)19-17(20)11-9-12(18)16-15(10-11)22-7-8-23-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 333.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 17436108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).