2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide

C20H12ClF5N2O2 — CID 26886312

IUPAC2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C20H12ClF5N2O2/c21-12-7-3-1-5-10(12)9-30-13-8-4-2-6-11(13)20(29)28-27-19-17(25)15(23)14(22)16(24)18(19)26/h1-8,27H,9H2,(H,28,29)
InChIKeyOQPJFQWDVORIAD-UHFFFAOYSA-N
MW442.77 g/mol
LogP5.37
Rot. Bonds6

About 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide

2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide (PubChem CID 26886312) has the molecular formula C20H12ClF5N2O2 and a molecular weight of 442.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
PubChem CID26886312
Molecular FormulaC20H12ClF5N2O2
Molecular Weight442.77 g/mol
Exact Mass442.05
IUPAC Name2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C20H12ClF5N2O2/c21-12-7-3-1-5-10(12)9-30-13-8-4-2-6-11(13)20(29)28-27-19-17(25)15(23)14(22)16(24)18(19)26/h1-8,27H,9H2,(H,28,29)
InChIKeyOQPJFQWDVORIAD-UHFFFAOYSA-N
XLogP5.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.77
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide
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N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide
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N-(3-amino-2-methylpropyl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
CID 119997645
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
2-[(2-chlorophenyl)methoxy]-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6536600
2-[(2-chlorophenyl)methoxy]-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6310157

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide (CID 26886312) is 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide is O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
The InChIKey is OQPJFQWDVORIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF5N2O2/c21-12-7-3-1-5-10(12)9-30-13-8-4-2-6-11(13)20(29)28-27-19-17(25)15(23)14(22)16(24)18(19)26/h1-8,27H,9H2,(H,28,29).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide has a molecular weight of 442.77 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide is sourced from PubChem (CID 26886312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).