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

C16H14Cl2N2O3 — CID 3367156

IUPAC3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-22-12-5-3-11(15(8-12)23-2)9-19-20-16(21)10-4-6-13(17)14(18)7-10/h3-9H,1-2H3,(H,20,21)
InChIKeyDGNSILOFJYQBBT-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.77
Rot. Bonds5

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

3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 3367156) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID3367156
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-22-12-5-3-11(15(8-12)23-2)9-19-20-16(21)10-4-6-13(17)14(18)7-10/h3-9H,1-2H3,(H,20,21)
InChIKeyDGNSILOFJYQBBT-UHFFFAOYSA-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

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-prop-1-en-2-ylbenzamide
CID 162458820
3,4-dichloro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126109970
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
2-(2-chlorophenyl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110527100
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
2-amino-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522604
[4-bromo-2-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3786586

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide (CID 3367156) is 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is DGNSILOFJYQBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-22-12-5-3-11(15(8-12)23-2)9-19-20-16(21)10-4-6-13(17)14(18)7-10/h3-9H,1-2H3,(H,20,21).
What are the key properties of 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide?
3,4-dichloro-N-[(2,4-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 3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3367156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).