4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide

C16H15IN2O3 — CID 9076385

IUPAC4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H15IN2O3/c1-18-16(21)11-2-6-13(7-3-11)19-15(20)10-22-14-8-4-12(17)5-9-14/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyUWEDQCOTVNDVRO-UHFFFAOYSA-N
MW410.21 g/mol
LogP2.67
Rot. Bonds5

About 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide

4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 9076385) has the molecular formula C16H15IN2O3 and a molecular weight of 410.21 g/mol. Its IUPAC name is 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID9076385
Molecular FormulaC16H15IN2O3
Molecular Weight410.21 g/mol
Exact Mass410.01
IUPAC Name4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H15IN2O3/c1-18-16(21)11-2-6-13(7-3-11)19-15(20)10-22-14-8-4-12(17)5-9-14/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyUWEDQCOTVNDVRO-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 47003985
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide (CID 9076385) is 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1.
What is the InChIKey of 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is UWEDQCOTVNDVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O3/c1-18-16(21)11-2-6-13(7-3-11)19-15(20)10-22-14-8-4-12(17)5-9-14/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide?
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 410.21 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 9076385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).