4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate

C15H10ClF2N2O2- — CID 8974207

IUPAC4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate
SMILESC/C(=N/Nc1cc(C(=O)[O-])ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H11ClF2N2O2/c1-8(11-7-10(17)3-5-13(11)18)19-20-14-6-9(15(21)22)2-4-12(14)16/h2-7,20H,1H3,(H,21,22)/p-1/b19-8-
InChIKeyGCGHSGDFBQSDLN-UWVJOHFNSA-M
MW323.71 g/mol
LogP2.82
Rot. Bonds4

About 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate

4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate (PubChem CID 8974207) has the molecular formula C15H10ClF2N2O2- and a molecular weight of 323.71 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate
PubChem CID8974207
Molecular FormulaC15H10ClF2N2O2-
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate
SMILESC/C(=N/Nc1cc(C(=O)[O-])ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H11ClF2N2O2/c1-8(11-7-10(17)3-5-13(11)18)19-20-14-6-9(15(21)22)2-4-12(14)16/h2-7,20H,1H3,(H,21,22)/p-1/b19-8-
InChIKeyGCGHSGDFBQSDLN-UWVJOHFNSA-M
XLogP2.82
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chlorothiophen-2-yl)ethylidene]hydrazinyl]benzoate
CID 8973742
3-[(2Z)-2-butan-2-ylidenehydrazinyl]-4-chlorobenzoate
CID 8973555
4-chloro-3-[(2Z)-2-[1-[4-(dimethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
CID 8973960
4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 8973586
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 8973525
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013664
tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
CID 9074784
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
4-chloro-3-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974194
N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide
CID 134094152
N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 71969035

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate (CID 8974207) is 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate is C/C(=N/Nc1cc(C(=O)[O-])ccc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate?
The InChIKey is GCGHSGDFBQSDLN-UWVJOHFNSA-M. The full InChI is InChI=1S/C15H11ClF2N2O2/c1-8(11-7-10(17)3-5-13(11)18)19-20-14-6-9(15(21)22)2-4-12(14)16/h2-7,20H,1H3,(H,21,22)/p-1/b19-8-.
What are the key properties of 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate?
4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate has a molecular weight of 323.71 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-[1-(2,5-difluorophenyl)ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 8974207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).