7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide

C15H10ClFN2O4 — CID 9427736

IUPAC7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H10ClFN2O4/c16-10-5-8(6-12-13(10)23-7-22-12)14(20)18-19-15(21)9-3-1-2-4-11(9)17/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyHWQWIYOPMQKRAJ-UHFFFAOYSA-N
MW336.71 g/mol
LogP2.28
Rot. Bonds2

About 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide

7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9427736) has the molecular formula C15H10ClFN2O4 and a molecular weight of 336.71 g/mol. Its IUPAC name is 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound Name7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
PubChem CID9427736
Molecular FormulaC15H10ClFN2O4
Molecular Weight336.71 g/mol
Exact Mass336.03
IUPAC Name7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H10ClFN2O4/c16-10-5-8(6-12-13(10)23-7-22-12)14(20)18-19-15(21)9-3-1-2-4-11(9)17/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyHWQWIYOPMQKRAJ-UHFFFAOYSA-N
XLogP2.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9428453
N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 8890859
7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
CID 9480093
7-chloro-N-(2-fluoro-4-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26700464
7-chloro-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 34730057
5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
CID 2087408
7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 55368530
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 9060769
7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 34577677
7-chloro-N-[2-(2-cyano-3-fluoroanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 47037719
N'-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 78813932
7-chloro-N-(5-chloro-2-hydroxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 56581240

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide (CID 9427736) is 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is HWQWIYOPMQKRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O4/c16-10-5-8(6-12-13(10)23-7-22-12)14(20)18-19-15(21)9-3-1-2-4-11(9)17/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 336.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9427736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).