(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate

C14H10Cl2N2O2 — CID 168530505

IUPAC(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
SMILESNN=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-3-6-12(13(16)7-10)14(19)20-11-4-1-9(2-5-11)8-18-17/h1-8H,17H2
InChIKeyLLJJPKBFMPXOBQ-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.51
Rot. Bonds3

About (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate

(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate (PubChem CID 168530505) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
PubChem CID168530505
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
SMILESNN=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-3-6-12(13(16)7-10)14(19)20-11-4-1-9(2-5-11)8-18-17/h1-8H,17H2
InChIKeyLLJJPKBFMPXOBQ-UHFFFAOYSA-N
XLogP3.51
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.51
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-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478
[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3624021
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4132128
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6123495
[4-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3555201
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3544117
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4182534
methyl 2-chloro-4-methanehydrazonoylbenzoate
CID 168530914
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 41271342
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6270486

Frequently Asked Questions

What is the IUPAC name of (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate?
The IUPAC name of (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate (CID 168530505) is (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate.
What is the SMILES notation for (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate?
The canonical SMILES for (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate is NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate?
The InChIKey is LLJJPKBFMPXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-10-3-6-12(13(16)7-10)14(19)20-11-4-1-9(2-5-11)8-18-17/h1-8H,17H2.
What are the key properties of (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate?
(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate has a molecular weight of 309.15 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate is sourced from PubChem (CID 168530505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).