N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

C15H12ClIN2O2 — CID 6287016

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)N/N=C\c1ccccc1Cl
InChIInChI=1S/C15H12ClIN2O2/c16-14-4-2-1-3-11(14)9-18-19-15(20)10-21-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyIIFUKTCGNIZDGD-NVMNQCDNSA-N
MW414.63 g/mol
LogP3.47
Rot. Bonds5

About N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (PubChem CID 6287016) has the molecular formula C15H12ClIN2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
PubChem CID6287016
Molecular FormulaC15H12ClIN2O2
Molecular Weight414.63 g/mol
Exact Mass413.96
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)N/N=C\c1ccccc1Cl
InChIInChI=1S/C15H12ClIN2O2/c16-14-4-2-1-3-11(14)9-18-19-15(20)10-21-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyIIFUKTCGNIZDGD-NVMNQCDNSA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 53.47
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-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870238
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 129437635
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
CID 19189673
2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1245916
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6877054

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (CID 6287016) is N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)N/N=C\c1ccccc1Cl.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The InChIKey is IIFUKTCGNIZDGD-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12ClIN2O2/c16-14-4-2-1-3-11(14)9-18-19-15(20)10-21-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide has a molecular weight of 414.63 g/mol, XLogP of 3.47, 5 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]-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 6287016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).