5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid

C16H12Cl2N2O4 — CID 94849130

IUPAC5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C16H12Cl2N2O4/c1-24-14-5-2-9(6-11(14)16(22)23)8-19-20-15(21)10-3-4-12(17)13(18)7-10/h2-8H,1H3,(H,20,21)(H,22,23)/b19-8-
InChIKeyNBHDCKKRAKNXCK-UWVJOHFNSA-N
MW367.19 g/mol
LogP3.46
Rot. Bonds5

About 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid

5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid (PubChem CID 94849130) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
PubChem CID94849130
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Name5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C16H12Cl2N2O4/c1-24-14-5-2-9(6-11(14)16(22)23)8-19-20-15(21)10-3-4-12(17)13(18)7-10/h2-8H,1H3,(H,20,21)(H,22,23)/b19-8-
InChIKeyNBHDCKKRAKNXCK-UWVJOHFNSA-N
XLogP3.46
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.46
H-Bond Donors ≤ 52
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

[4-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 3670411
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
[2-methoxy-4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 4243627
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
[4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 6002211
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid (CID 94849130) is 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid is COc1ccc(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O.
What is the InChIKey of 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid?
The InChIKey is NBHDCKKRAKNXCK-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c1-24-14-5-2-9(6-11(14)16(22)23)8-19-20-15(21)10-3-4-12(17)13(18)7-10/h2-8H,1H3,(H,20,21)(H,22,23)/b19-8-.
What are the key properties of 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid?
5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid has a molecular weight of 367.19 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 94849130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).