N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide

C15H11Cl2IN2O2 — CID 6117439

IUPACN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1I
InChIInChI=1S/C15H11Cl2IN2O2/c1-22-13-6-5-9(7-12(13)18)15(21)20-19-8-10-3-2-4-11(16)14(10)17/h2-8H,1H3,(H,20,21)/b19-8-
InChIKeyGTTMBHRMWUSGLK-UWVJOHFNSA-N
MW449.08 g/mol
LogP4.37
Rot. Bonds4

About N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide (PubChem CID 6117439) has the molecular formula C15H11Cl2IN2O2 and a molecular weight of 449.08 g/mol. Its IUPAC name is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
PubChem CID6117439
Molecular FormulaC15H11Cl2IN2O2
Molecular Weight449.08 g/mol
Exact Mass447.92
IUPAC NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1I
InChIInChI=1S/C15H11Cl2IN2O2/c1-22-13-6-5-9(7-12(13)18)15(21)20-19-8-10-3-2-4-11(16)14(10)17/h2-8H,1H3,(H,20,21)/b19-8-
InChIKeyGTTMBHRMWUSGLK-UWVJOHFNSA-N
XLogP4.37
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.08
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 6117441
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 71951596

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide (CID 6117439) is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1I.
What is the InChIKey of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The InChIKey is GTTMBHRMWUSGLK-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11Cl2IN2O2/c1-22-13-6-5-9(7-12(13)18)15(21)20-19-8-10-3-2-4-11(16)14(10)17/h2-8H,1H3,(H,20,21)/b19-8-.
What are the key properties of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide has a molecular weight of 449.08 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 6117439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).