5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate

C15H11BrClN2O2- — CID 7416836

IUPAC5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
SMILESC/C(=N/Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-9(10-2-4-11(16)5-3-10)18-19-12-6-7-14(17)13(8-12)15(20)21/h2-8,19H,1H3,(H,20,21)/p-1/b18-9-
InChIKeyFVOCNCWWKHRZJQ-NVMNQCDNSA-M
MW366.62 g/mol
LogP3.30
Rot. Bonds4

About 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate

5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate (PubChem CID 7416836) has the molecular formula C15H11BrClN2O2- and a molecular weight of 366.62 g/mol. Its IUPAC name is 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate.

Molecular Properties

Compound Name5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
PubChem CID7416836
Molecular FormulaC15H11BrClN2O2-
Molecular Weight366.62 g/mol
Exact Mass364.97
IUPAC Name5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
SMILESC/C(=N/Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-9(10-2-4-11(16)5-3-10)18-19-12-6-7-14(17)13(8-12)15(20)21/h2-8,19H,1H3,(H,20,21)/p-1/b18-9-
InChIKeyFVOCNCWWKHRZJQ-NVMNQCDNSA-M
XLogP3.30
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.62
LogP ≤ 53.30
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

5-[(2Z)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydrazinyl]-2-chlorobenzoate
CID 7416404
2-chloro-5-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 4300959
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
CID 9058961
4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline
CID 131740065
sodium 5-bromo-2-chlorobenzoate
CID 138319500
potassium 5-bromo-2-chlorobenzoate
CID 23680159
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
4-chloro-3-[(2Z)-2-[1-[4-(dimethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
CID 8973960

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate?
The IUPAC name of 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate (CID 7416836) is 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate.
What is the SMILES notation for 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate?
The canonical SMILES for 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate is C/C(=N/Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(Br)cc1.
What is the InChIKey of 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate?
The InChIKey is FVOCNCWWKHRZJQ-NVMNQCDNSA-M. The full InChI is InChI=1S/C15H12BrClN2O2/c1-9(10-2-4-11(16)5-3-10)18-19-12-6-7-14(17)13(8-12)15(20)21/h2-8,19H,1H3,(H,20,21)/p-1/b18-9-.
What are the key properties of 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate?
5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate has a molecular weight of 366.62 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate is sourced from PubChem (CID 7416836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).