N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide

C14H13IN2O3 — CID 5441397

IUPACN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(I)o2)cc1
InChIInChI=1S/C14H13IN2O3/c1-10-2-4-11(5-3-10)19-9-14(18)17-16-8-12-6-7-13(15)20-12/h2-8H,9H2,1H3,(H,17,18)/b16-8-
InChIKeyJHXFGCUHYPTTMH-PXNMLYILSA-N
MW384.17 g/mol
LogP2.72
Rot. Bonds5

About N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide

N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide (PubChem CID 5441397) has the molecular formula C14H13IN2O3 and a molecular weight of 384.17 g/mol. Its IUPAC name is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
PubChem CID5441397
Molecular FormulaC14H13IN2O3
Molecular Weight384.17 g/mol
Exact Mass384.00
IUPAC NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(I)o2)cc1
InChIInChI=1S/C14H13IN2O3/c1-10-2-4-11(5-3-10)19-9-14(18)17-16-8-12-6-7-13(15)20-12/h2-8H,9H2,1H3,(H,17,18)/b16-8-
InChIKeyJHXFGCUHYPTTMH-PXNMLYILSA-N
XLogP2.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126006841
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 40536060
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide (CID 5441397) is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C\c2ccc(I)o2)cc1.
What is the InChIKey of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The InChIKey is JHXFGCUHYPTTMH-PXNMLYILSA-N. The full InChI is InChI=1S/C14H13IN2O3/c1-10-2-4-11(5-3-10)19-9-14(18)17-16-8-12-6-7-13(15)20-12/h2-8H,9H2,1H3,(H,17,18)/b16-8-.
What are the key properties of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide has a molecular weight of 384.17 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 5441397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).