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

C15H12ClIN2O2 — CID 6117681

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1I
InChIInChI=1S/C15H12ClIN2O2/c1-21-14-7-6-10(8-13(14)17)15(20)19-18-9-11-4-2-3-5-12(11)16/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyBATHZTYGCGKIPU-NVMNQCDNSA-N
MW414.63 g/mol
LogP3.72
Rot. Bonds4

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

N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide (PubChem CID 6117681) has the molecular formula C15H12ClIN2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
PubChem CID6117681
Molecular FormulaC15H12ClIN2O2
Molecular Weight414.63 g/mol
Exact Mass413.96
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1I
InChIInChI=1S/C15H12ClIN2O2/c1-21-14-7-6-10(8-13(14)17)15(20)19-18-9-11-4-2-3-5-12(11)16/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyBATHZTYGCGKIPU-NVMNQCDNSA-N
XLogP3.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 53.72
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)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117439
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 6117441
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide (CID 6117681) is N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1I.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The InChIKey is BATHZTYGCGKIPU-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12ClIN2O2/c1-21-14-7-6-10(8-13(14)17)15(20)19-18-9-11-4-2-3-5-12(11)16/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide has a molecular weight of 414.63 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 6117681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).