4-[[2-(2-iodophenoxy)acetyl]amino]benzamide

C15H13IN2O3 — CID 38878336

IUPAC4-[[2-(2-iodophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccccc2I)cc1
InChIInChI=1S/C15H13IN2O3/c16-12-3-1-2-4-13(12)21-9-14(19)18-11-7-5-10(6-8-11)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeyOXKAOTBAJDNYIP-UHFFFAOYSA-N
MW396.18 g/mol
LogP2.41
Rot. Bonds5

About 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide

4-[[2-(2-iodophenoxy)acetyl]amino]benzamide (PubChem CID 38878336) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-iodophenoxy)acetyl]amino]benzamide
PubChem CID38878336
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC Name4-[[2-(2-iodophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccccc2I)cc1
InChIInChI=1S/C15H13IN2O3/c16-12-3-1-2-4-13(12)21-9-14(19)18-11-7-5-10(6-8-11)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeyOXKAOTBAJDNYIP-UHFFFAOYSA-N
XLogP2.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 52.41
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

N-(4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878179
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
N-(3-amino-4-chlorophenyl)-2-(2-iodophenoxy)acetamide
CID 43479671
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791225
N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide
CID 38879314
2-(2-iodophenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38879249
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide
CID 7385141
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide (CID 38878336) is 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)COc2ccccc2I)cc1.
What is the InChIKey of 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide?
The InChIKey is OXKAOTBAJDNYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c16-12-3-1-2-4-13(12)21-9-14(19)18-11-7-5-10(6-8-11)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19).
What are the key properties of 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide?
4-[[2-(2-iodophenoxy)acetyl]amino]benzamide has a molecular weight of 396.18 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-iodophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 38878336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).