7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide

C16H12ClFN2O5 — CID 9428453

IUPAC7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C16H12ClFN2O5/c17-12-5-9(6-13-15(12)25-8-24-13)16(22)20-19-14(21)7-23-11-3-1-10(18)2-4-11/h1-6H,7-8H2,(H,19,21)(H,20,22)
InChIKeyWICKWVKNXOIAFW-UHFFFAOYSA-N
MW366.73 g/mol
LogP2.05
Rot. Bonds4

About 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide

7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9428453) has the molecular formula C16H12ClFN2O5 and a molecular weight of 366.73 g/mol. Its IUPAC name is 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound Name7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID9428453
Molecular FormulaC16H12ClFN2O5
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Name7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C16H12ClFN2O5/c17-12-5-9(6-13-15(12)25-8-24-13)16(22)20-19-14(21)7-23-11-3-1-10(18)2-4-11/h1-6H,7-8H2,(H,19,21)(H,20,22)
InChIKeyWICKWVKNXOIAFW-UHFFFAOYSA-N
XLogP2.05
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 52.05
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

3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 55363178
6-chloro-N'-[2-(2-phenylphenoxy)acetyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide
CID 26259289
7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 9404639
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
7-chloro-N-ethyl-N-(4-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 51198670
4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide
CID 47091237
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide (CID 9428453) is 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide is O=C(COc1ccc(F)cc1)NNC(=O)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is WICKWVKNXOIAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O5/c17-12-5-9(6-13-15(12)25-8-24-13)16(22)20-19-14(21)7-23-11-3-1-10(18)2-4-11/h1-6H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide?
7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 366.73 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9428453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).