2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid

C16H14INO5 — CID 1288987

IUPAC2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO5/c17-11-1-5-13(6-2-11)22-9-15(19)18-12-3-7-14(8-4-12)23-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyPAHZHCLLTMRCNP-UHFFFAOYSA-N
MW427.19 g/mol
LogP2.77
Rot. Bonds7

About 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid

2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid (PubChem CID 1288987) has the molecular formula C16H14INO5 and a molecular weight of 427.19 g/mol. Its IUPAC name is 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
PubChem CID1288987
Molecular FormulaC16H14INO5
Molecular Weight427.19 g/mol
Exact Mass426.99
IUPAC Name2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO5/c17-11-1-5-13(6-2-11)22-9-15(19)18-12-3-7-14(8-4-12)23-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyPAHZHCLLTMRCNP-UHFFFAOYSA-N
XLogP2.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 47003985
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid (CID 1288987) is 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)COc2ccc(I)cc2)cc1.
What is the InChIKey of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid?
The InChIKey is PAHZHCLLTMRCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO5/c17-11-1-5-13(6-2-11)22-9-15(19)18-12-3-7-14(8-4-12)23-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid?
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid has a molecular weight of 427.19 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 1288987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).