4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate

C14H9BrFN2O2- — CID 9012798

IUPAC4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-4-1-10(13(16)7-11)8-17-18-12-5-2-9(3-6-12)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-
InChIKeyJRPCIBDBLJEPKK-IUXPMGMMSA-M
MW336.14 g/mol
LogP2.40
Rot. Bonds4

About 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate

4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate (PubChem CID 9012798) has the molecular formula C14H9BrFN2O2- and a molecular weight of 336.14 g/mol. Its IUPAC name is 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate
PubChem CID9012798
Molecular FormulaC14H9BrFN2O2-
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-4-1-10(13(16)7-11)8-17-18-12-5-2-9(3-6-12)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-
InChIKeyJRPCIBDBLJEPKK-IUXPMGMMSA-M
XLogP2.40
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 52.40
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-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066818
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460639
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate
CID 7066822
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518529
methyl 2-[5-bromo-2-[(phenylhydrazinylidene)methyl]phenyl]sulfanylacetate
CID 169384058
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
2-[(E)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate (CID 9012798) is 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate is O=C([O-])c1ccc(N/N=C\c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is JRPCIBDBLJEPKK-IUXPMGMMSA-M. The full InChI is InChI=1S/C14H10BrFN2O2/c15-11-4-1-10(13(16)7-11)8-17-18-12-5-2-9(3-6-12)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-.
What are the key properties of 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 336.14 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 9012798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).