methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate

C16H12Cl2N2O3 — CID 3281330

IUPACmethyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2N2O3/c1-23-16(22)11-4-2-10(3-5-11)9-19-20-15(21)13-7-6-12(17)8-14(13)18/h2-9H,1H3,(H,20,21)
InChIKeyRXAHOZFIZGZFET-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.54
Rot. Bonds4

About methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate

methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate (PubChem CID 3281330) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
PubChem CID3281330
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Namemethyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2N2O3/c1-23-16(22)11-4-2-10(3-5-11)9-19-20-15(21)13-7-6-12(17)8-14(13)18/h2-9H,1H3,(H,20,21)
InChIKeyRXAHOZFIZGZFET-UHFFFAOYSA-N
XLogP3.54
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.54
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

2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341009
methyl 4-[(Z)-[[3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 5445489
methyl 4-[(E)-[[2-chloro-5-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]benzoate
CID 170440273
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275
[4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4507669
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4276953
[4-[(Z)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 41002107
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 45054774

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate (CID 3281330) is methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate?
The InChIKey is RXAHOZFIZGZFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-23-16(22)11-4-2-10(3-5-11)9-19-20-15(21)13-7-6-12(17)8-14(13)18/h2-9H,1H3,(H,20,21).
What are the key properties of methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate?
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate has a molecular weight of 351.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 3281330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).