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

C15H11Cl2IN2O2 — CID 5160595

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=Cc2ccc(Cl)cc2Cl)ccc1I
InChIInChI=1S/C15H11Cl2IN2O2/c1-22-14-6-9(3-5-13(14)18)15(21)20-19-8-10-2-4-11(16)7-12(10)17/h2-8H,1H3,(H,20,21)
InChIKeyAAPGYRBNVBMLJZ-UHFFFAOYSA-N
MW449.08 g/mol
LogP4.37
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide (PubChem CID 5160595) has the molecular formula C15H11Cl2IN2O2 and a molecular weight of 449.08 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
PubChem CID5160595
Molecular FormulaC15H11Cl2IN2O2
Molecular Weight449.08 g/mol
Exact Mass447.92
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=Cc2ccc(Cl)cc2Cl)ccc1I
InChIInChI=1S/C15H11Cl2IN2O2/c1-22-14-6-9(3-5-13(14)18)15(21)20-19-8-10-2-4-11(16)7-12(10)17/h2-8H,1H3,(H,20,21)
InChIKeyAAPGYRBNVBMLJZ-UHFFFAOYSA-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-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 137062731
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3295001
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3616632

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide (CID 5160595) is N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide is COc1cc(C(=O)NN=Cc2ccc(Cl)cc2Cl)ccc1I.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The InChIKey is AAPGYRBNVBMLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN2O2/c1-22-14-6-9(3-5-13(14)18)15(21)20-19-8-10-2-4-11(16)7-12(10)17/h2-8H,1H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-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-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 5160595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).