2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide

C16H14Cl2N2O3 — CID 3623191

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

About 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 3623191) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID3623191
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(OC)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-22-12-4-6-15(23-2)10(7-12)9-19-20-16(21)13-5-3-11(17)8-14(13)18/h3-9H,1-2H3,(H,20,21)
InChIKeyBZNRVVJVMLJGDJ-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

2-chloro-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7373594
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 51061983
6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
CID 134815918
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,4,5-trihydroxybenzamide
CID 123734765
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
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
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide (CID 3623191) is 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide is COc1ccc(OC)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is BZNRVVJVMLJGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-22-12-4-6-15(23-2)10(7-12)9-19-20-16(21)13-5-3-11(17)8-14(13)18/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(2,5-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-[(2,5-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3623191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).