2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide

C13H8Cl3FN2O — CID 2812896

IUPAC2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide
SMILESO=C(NNc1cc(Cl)cc(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-7-4-8(15)6-9(5-7)18-19-13(20)12-10(16)2-1-3-11(12)17/h1-6,18H,(H,19,20)
InChIKeyKVKUHZAPJTVUSR-UHFFFAOYSA-N
MW333.58 g/mol
LogP4.54
Rot. Bonds3

About 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide

2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide (PubChem CID 2812896) has the molecular formula C13H8Cl3FN2O and a molecular weight of 333.58 g/mol. Its IUPAC name is 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide
PubChem CID2812896
Molecular FormulaC13H8Cl3FN2O
Molecular Weight333.58 g/mol
Exact Mass331.97
IUPAC Name2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide
SMILESO=C(NNc1cc(Cl)cc(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-7-4-8(15)6-9(5-7)18-19-13(20)12-10(16)2-1-3-11(12)17/h1-6,18H,(H,19,20)
InChIKeyKVKUHZAPJTVUSR-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid, 4-chloro-, 2-phenylhydrazide
CID 27023
Benzoic acid, 2-(p-chlorophenyl)hydrazide
CID 28566
Benzoic acid, p-chloro-, 2-(p-chlorophenyl)hydrazide
CID 37486
2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide
CID 2812570
N'-(4-chlorophenyl)-4-ethylbenzohydrazide
CID 2812572
Benzoic acid, 2-(3,4-dichlorophenyl)hydrazide
CID 25730
N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide
CID 2811327
N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide
CID 2813075
4-(tert-butyl)-N'-(3,5-dichlorophenyl)benzohydrazide
CID 2813076
N'-(2-fluorophenyl)benzohydrazide
CID 2812154
N'-(2,6-dichlorophenyl)-4-ethylbenzohydrazide
CID 2812883
N'-(2,6-dichlorophenyl)-4-methylbenzohydrazide
CID 127031947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide?
The IUPAC name of 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide (CID 2812896) is 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide?
The canonical SMILES for 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide is O=C(NNc1cc(Cl)cc(Cl)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide?
The InChIKey is KVKUHZAPJTVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FN2O/c14-7-4-8(15)6-9(5-7)18-19-13(20)12-10(16)2-1-3-11(12)17/h1-6,18H,(H,19,20).
What are the key properties of 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide?
2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide has a molecular weight of 333.58 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide is sourced from PubChem (CID 2812896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).