5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

C19H19ClN2O5 — CID 55363178

IUPAC5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H19ClN2O5/c1-2-12-5-3-4-6-15(12)27-11-17(23)21-22-19(24)13-9-14(20)18-16(10-13)25-7-8-26-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyXIYANLVDLKTNAU-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.51
Rot. Bonds5

About 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (PubChem CID 55363178) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
PubChem CID55363178
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H19ClN2O5/c1-2-12-5-3-4-6-15(12)27-11-17(23)21-22-19(24)13-9-14(20)18-16(10-13)25-7-8-26-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyXIYANLVDLKTNAU-UHFFFAOYSA-N
XLogP2.51
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N'-[2-(2-phenylphenoxy)acetyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide
CID 26259289
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17436108
5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 30236034
7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9428453
5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55888566
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 32603914
N'-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 78813932
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687
N'-[2-(2-benzylphenoxy)acetyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide
CID 25470974
5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27648173
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The IUPAC name of 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (CID 55363178) is 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is CCc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The InChIKey is XIYANLVDLKTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-2-12-5-3-4-6-15(12)27-11-17(23)21-22-19(24)13-9-14(20)18-16(10-13)25-7-8-26-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide has a molecular weight of 390.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is sourced from PubChem (CID 55363178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).