4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid

C15H11ClF2N2O2 — CID 8973586

IUPAC4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1cc(C(=O)O)ccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2N2O2/c1-8(14-11(17)3-2-4-12(14)18)19-20-13-7-9(15(21)22)5-6-10(13)16/h2-7,20H,1H3,(H,21,22)/b19-8-
InChIKeyWAGWIWGUXBWXHC-UWVJOHFNSA-N
MW324.71 g/mol
LogP4.15
Rot. Bonds4

About 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid

4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 8973586) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID8973586
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC Name4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1cc(C(=O)O)ccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2N2O2/c1-8(14-11(17)3-2-4-12(14)18)19-20-13-7-9(15(21)22)5-6-10(13)16/h2-7,20H,1H3,(H,21,22)/b19-8-
InChIKeyWAGWIWGUXBWXHC-UWVJOHFNSA-N
XLogP4.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974194
4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
CID 8973589
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
4-chloro-3-[(2Z)-2-[1-[4-(dimethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8973961
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
CID 110453077
4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate
CID 8974207
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
CID 3312956
4-chloro-3-[(2Z)-2-[1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974024
4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973534
4-chloro-3-fluorobenzoic acid
CID 2736536

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid (CID 8973586) is 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid is C/C(=N/Nc1cc(C(=O)O)ccc1Cl)c1c(F)cccc1F.
What is the InChIKey of 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is WAGWIWGUXBWXHC-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c1-8(14-11(17)3-2-4-12(14)18)19-20-13-7-9(15(21)22)5-6-10(13)16/h2-7,20H,1H3,(H,21,22)/b19-8-.
What are the key properties of 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid?
4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 324.71 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 8973586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).