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

C15H11Cl3N2O2 — CID 110509279

IUPAC2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-22-14-12(17)6-9(7-13(14)18)8-19-20-15(21)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,20,21)/b19-8-
InChIKeyKATQWKTYZBMCTC-UWVJOHFNSA-N
MW357.62 g/mol
LogP4.42
Rot. Bonds4

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

2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 110509279) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID110509279
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Name2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-22-14-12(17)6-9(7-13(14)18)8-19-20-15(21)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,20,21)/b19-8-
InChIKeyKATQWKTYZBMCTC-UWVJOHFNSA-N
XLogP4.42
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110509287
N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-2-chlorobenzamide
CID 126384401
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
CID 6445159
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 6133035
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523466
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide (CID 110509279) is 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide is COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is KATQWKTYZBMCTC-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c1-22-14-12(17)6-9(7-13(14)18)8-19-20-15(21)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,20,21)/b19-8-.
What are the key properties of 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 357.62 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110509279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).