(4-methanehydrazonoylphenyl) 2-chlorobenzoate

C14H11ClN2O2 — CID 168530478

IUPAC(4-methanehydrazonoylphenyl) 2-chlorobenzoate
SMILESNN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c15-13-4-2-1-3-12(13)14(18)19-11-7-5-10(6-8-11)9-17-16/h1-9H,16H2
InChIKeyCJFSKBLYLLQGQV-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.85
Rot. Bonds3

About (4-methanehydrazonoylphenyl) 2-chlorobenzoate

(4-methanehydrazonoylphenyl) 2-chlorobenzoate (PubChem CID 168530478) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is (4-methanehydrazonoylphenyl) 2-chlorobenzoate.

Molecular Properties

Compound Name(4-methanehydrazonoylphenyl) 2-chlorobenzoate
PubChem CID168530478
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name(4-methanehydrazonoylphenyl) 2-chlorobenzoate
SMILESNN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c15-13-4-2-1-3-12(13)14(18)19-11-7-5-10(6-8-11)9-17-16/h1-9H,16H2
InChIKeyCJFSKBLYLLQGQV-UHFFFAOYSA-N
XLogP2.85
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate
CID 880858
[4-[(E)-hydroxyiminomethyl]phenyl] 2-chlorobenzoate
CID 6897896
(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
CID 168530505
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6109937
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[[[amino(benzylsulfanyl)methylidene]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 168612676
[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 1117179
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
[4-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6000154
[4-[[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 5186669
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 98298432

Frequently Asked Questions

What is the IUPAC name of (4-methanehydrazonoylphenyl) 2-chlorobenzoate?
The IUPAC name of (4-methanehydrazonoylphenyl) 2-chlorobenzoate (CID 168530478) is (4-methanehydrazonoylphenyl) 2-chlorobenzoate.
What is the SMILES notation for (4-methanehydrazonoylphenyl) 2-chlorobenzoate?
The canonical SMILES for (4-methanehydrazonoylphenyl) 2-chlorobenzoate is NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of (4-methanehydrazonoylphenyl) 2-chlorobenzoate?
The InChIKey is CJFSKBLYLLQGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-13-4-2-1-3-12(13)14(18)19-11-7-5-10(6-8-11)9-17-16/h1-9H,16H2.
What are the key properties of (4-methanehydrazonoylphenyl) 2-chlorobenzoate?
(4-methanehydrazonoylphenyl) 2-chlorobenzoate has a molecular weight of 274.71 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanehydrazonoylphenyl) 2-chlorobenzoate is sourced from PubChem (CID 168530478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).