2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide

C16H15IN2O2 — CID 171980951

IUPAC2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H15IN2O2/c1-12(13-5-3-2-4-6-13)18-19-16(20)11-21-15-9-7-14(17)8-10-15/h2-10H,11H2,1H3,(H,19,20)/b18-12-
InChIKeyJBUDTKSDIXFEGY-PDGQHHTCSA-N
MW394.21 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide

2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide (PubChem CID 171980951) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
PubChem CID171980951
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC Name2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H15IN2O2/c1-12(13-5-3-2-4-6-13)18-19-16(20)11-21-15-9-7-14(17)8-10-15/h2-10H,11H2,1H3,(H,19,20)/b18-12-
InChIKeyJBUDTKSDIXFEGY-PDGQHHTCSA-N
XLogP3.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.21
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

2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide
CID 5183598
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide (CID 171980951) is 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(I)cc1)c1ccccc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide?
The InChIKey is JBUDTKSDIXFEGY-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-12(13-5-3-2-4-6-13)18-19-16(20)11-21-15-9-7-14(17)8-10-15/h2-10H,11H2,1H3,(H,19,20)/b18-12-.
What are the key properties of 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide?
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide has a molecular weight of 394.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 171980951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).