2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide

C16H14Cl2N2O3 — CID 6036717

IUPAC2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2N2O3/c1-22-14-6-3-10(7-15(14)23-2)9-19-20-16(21)12-5-4-11(17)8-13(12)18/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyRHULAHFIJYZNJU-OCKHKDLRSA-N
MW353.21 g/mol
LogP3.77
Rot. Bonds5

About 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6036717) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID6036717
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2N2O3/c1-22-14-6-3-10(7-15(14)23-2)9-19-20-16(21)12-5-4-11(17)8-13(12)18/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyRHULAHFIJYZNJU-OCKHKDLRSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.77
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-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
[4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4507669
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341009
[4-[(Z)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 41002107
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4290172
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275
2,4-dichloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 96885111
2,4-dichloro-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110338078
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 6303373
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4276953
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 45054566

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide (CID 6036717) is 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is RHULAHFIJYZNJU-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-22-14-6-3-10(7-15(14)23-2)9-19-20-16(21)12-5-4-11(17)8-13(12)18/h3-9H,1-2H3,(H,20,21)/b19-9-.
What are the key properties of 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 353.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6036717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).