2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide

C21H16ClFN2O3 — CID 9402900

IUPAC2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C21H16ClFN2O3/c22-15-11-9-14(10-12-15)13-28-19-8-4-2-6-17(19)21(27)25-24-20(26)16-5-1-3-7-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyAAWMFOBWOJAFIM-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.13
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide

2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide (PubChem CID 9402900) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
PubChem CID9402900
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C21H16ClFN2O3/c22-15-11-9-14(10-12-15)13-28-19-8-4-2-6-17(19)21(27)25-24-20(26)16-5-1-3-7-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyAAWMFOBWOJAFIM-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 17387628
N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7976394
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
2-[(4-chlorophenyl)methoxy]-N-(2-methylbutan-2-yl)benzamide
CID 2115327
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide (CID 9402900) is 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
The InChIKey is AAWMFOBWOJAFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c22-15-11-9-14(10-12-15)13-28-19-8-4-2-6-17(19)21(27)25-24-20(26)16-5-1-3-7-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide has a molecular weight of 398.82 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide is sourced from PubChem (CID 9402900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).