[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate

C16H14Cl2N2O2 — CID 3624021

IUPAC[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
SMILESCN(C)N=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(2)19-10-11-3-6-13(7-4-11)22-16(21)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3
InChIKeyDBQLBUQNUPOTHI-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.11
Rot. Bonds4

About [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate

[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 3624021) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
PubChem CID3624021
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
SMILESCN(C)N=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(2)19-10-11-3-6-13(7-4-11)22-16(21)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3
InChIKeyDBQLBUQNUPOTHI-UHFFFAOYSA-N
XLogP4.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
CID 168530505
[4-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3555201
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4132128
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3544117
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4182534
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6166956
[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
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6123495
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate (CID 3624021) is [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate is CN(C)N=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is DBQLBUQNUPOTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-20(2)19-10-11-3-6-13(7-4-11)22-16(21)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3.
What are the key properties of [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate?
[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 337.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 3624021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).