methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate

C15H12Cl2N2O2 — CID 8001515

IUPACmethyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2N2O2/c1-21-15(20)11-4-2-10(3-5-11)9-18-19-12-6-7-13(16)14(17)8-12/h2-9,19H,1H3/b18-9-
InChIKeyLJLDSRQPIQGJDR-NVMNQCDNSA-N
MW323.18 g/mol
LogP4.23
Rot. Bonds4

About methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate

methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate (PubChem CID 8001515) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
PubChem CID8001515
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Namemethyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2N2O2/c1-21-15(20)11-4-2-10(3-5-11)9-18-19-12-6-7-13(16)14(17)8-12/h2-9,19H,1H3/b18-9-
InChIKeyLJLDSRQPIQGJDR-NVMNQCDNSA-N
XLogP4.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.23
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

methyl 4-[[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 4002344
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499
methyl 4-[(E)-[(4-cyanophenyl)hydrazinylidene]methyl]benzoate
CID 46915929
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
CID 56725889
methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate
CID 3659610
4-[[4-[(E)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 19656131
2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7415273
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate (CID 8001515) is methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N\Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate?
The InChIKey is LJLDSRQPIQGJDR-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-21-15(20)11-4-2-10(3-5-11)9-18-19-12-6-7-13(16)14(17)8-12/h2-9,19H,1H3/b18-9-.
What are the key properties of methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate?
methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate has a molecular weight of 323.18 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8001515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).