2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide

C16H13Cl3N2O3 — CID 110509287

IUPAC2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2Cl)c(OC)c1Cl
InChIInChI=1S/C16H13Cl3N2O3/c1-23-14-9(7-12(18)15(24-2)13(14)19)8-20-21-16(22)10-5-3-4-6-11(10)17/h3-8H,1-2H3,(H,21,22)/b20-8-
InChIKeyXNTVFZRLYBCDMN-ZBKNUEDVSA-N
MW387.65 g/mol
LogP4.43
Rot. Bonds5

About 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 110509287) has the molecular formula C16H13Cl3N2O3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID110509287
Molecular FormulaC16H13Cl3N2O3
Molecular Weight387.65 g/mol
Exact Mass386.00
IUPAC Name2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2Cl)c(OC)c1Cl
InChIInChI=1S/C16H13Cl3N2O3/c1-23-14-9(7-12(18)15(24-2)13(14)19)8-20-21-16(22)10-5-3-4-6-11(10)17/h3-8H,1-2H3,(H,21,22)/b20-8-
InChIKeyXNTVFZRLYBCDMN-ZBKNUEDVSA-N
XLogP4.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.43
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)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712147
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839822
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide (CID 110509287) is 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide is COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2Cl)c(OC)c1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is XNTVFZRLYBCDMN-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H13Cl3N2O3/c1-23-14-9(7-12(18)15(24-2)13(14)19)8-20-21-16(22)10-5-3-4-6-11(10)17/h3-8H,1-2H3,(H,21,22)/b20-8-.
What are the key properties of 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 387.65 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110509287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).