2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide

C13H9Cl2FN2O — CID 2812570

IUPAC2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide
SMILESO=C(NNc1ccc(Cl)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-8-4-6-9(7-5-8)17-18-13(19)12-10(15)2-1-3-11(12)16/h1-7,17H,(H,18,19)
InChIKeyCBPMZNQDJVYQSV-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide

2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide (PubChem CID 2812570) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide
PubChem CID2812570
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide
SMILESO=C(NNc1ccc(Cl)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-8-4-6-9(7-5-8)17-18-13(19)12-10(15)2-1-3-11(12)16/h1-7,17H,(H,18,19)
InChIKeyCBPMZNQDJVYQSV-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.89
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
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
2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide
CID 2812896
N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide
CID 2813075
N'-(2-fluorophenyl)benzohydrazide
CID 2812154
N'-(2,6-dichlorophenyl)-4-methylbenzohydrazide
CID 127031947
2-chloro-N'-phenylbenzohydrazide
CID 347064
2-(4-chlorophenyl)-N''-(2,3,5,6-tetrafluorophenyl)acetohydrazide
CID 2384720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide?
The IUPAC name of 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide (CID 2812570) is 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide?
The canonical SMILES for 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide is O=C(NNc1ccc(Cl)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide?
The InChIKey is CBPMZNQDJVYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-8-4-6-9(7-5-8)17-18-13(19)12-10(15)2-1-3-11(12)16/h1-7,17H,(H,18,19).
What are the key properties of 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide?
2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide has a molecular weight of 299.13 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide is sourced from PubChem (CID 2812570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).