2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide

C15H9F5N2O3 — CID 2744785

IUPAC2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F5N2O3/c16-9-5-3-6-10(17)12(9)14(24)22-21-13(23)8-4-1-2-7-11(8)25-15(18,19)20/h1-7H,(H,21,23)(H,22,24)
InChIKeyGCSOXHJSEFHCLP-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.94
Rot. Bonds3

About 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide

2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide (PubChem CID 2744785) has the molecular formula C15H9F5N2O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
PubChem CID2744785
Molecular FormulaC15H9F5N2O3
Molecular Weight360.24 g/mol
Exact Mass360.05
IUPAC Name2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F5N2O3/c16-9-5-3-6-10(17)12(9)14(24)22-21-13(23)8-4-1-2-7-11(8)25-15(18,19)20/h1-7H,(H,21,23)(H,22,24)
InChIKeyGCSOXHJSEFHCLP-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.94
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

N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 141176315
N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide
CID 141030215
2-(trifluoromethoxy)benzoate
CID 6933714
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
CID 69470093
2-bromo-1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethanone
CID 171028640
[(2,6-difluorobenzoyl)amino]thiourea
CID 65217088
2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
CID 88701433
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
CID 122278049
[4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]phenyl]boronic acid
CID 140784412
N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
CID 139014844

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide (CID 2744785) is 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide is O=C(NNC(=O)c1c(F)cccc1F)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide?
The InChIKey is GCSOXHJSEFHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2O3/c16-9-5-3-6-10(17)12(9)14(24)22-21-13(23)8-4-1-2-7-11(8)25-15(18,19)20/h1-7H,(H,21,23)(H,22,24).
What are the key properties of 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide?
2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide has a molecular weight of 360.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 2744785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).