N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide

C21H16INO3 — CID 38879314

IUPACN-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide
SMILESO=C(COc1ccccc1I)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16INO3/c22-18-8-4-5-9-20(18)26-14-19(24)15-10-12-17(13-11-15)23-21(25)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25)
InChIKeyCMHBJIDMJVBVIK-UHFFFAOYSA-N
MW457.27 g/mol
LogP4.81
Rot. Bonds6

About N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide

N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide (PubChem CID 38879314) has the molecular formula C21H16INO3 and a molecular weight of 457.27 g/mol. Its IUPAC name is N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide
PubChem CID38879314
Molecular FormulaC21H16INO3
Molecular Weight457.27 g/mol
Exact Mass457.02
IUPAC NameN-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide
SMILESO=C(COc1ccccc1I)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16INO3/c22-18-8-4-5-9-20(18)26-14-19(24)15-10-12-17(13-11-15)23-21(25)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25)
InChIKeyCMHBJIDMJVBVIK-UHFFFAOYSA-N
XLogP4.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzamido-N-(2-iodophenyl)benzamide
CID 30766478
4-[[2-(2-iodophenoxy)acetyl]amino]benzamide
CID 38878336
N-(4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878179
methyl 4-[2-(4-benzamidophenyl)-2-oxoethoxy]-3-nitrobenzoate
CID 30817127
N-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]benzamide
CID 8007533
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
2-(4-benzamidophenoxy)acetic acid
CID 3830392
1-(4-phenacyloxyphenyl)-3-phenylurea
CID 172640057
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide (CID 38879314) is N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide is O=C(COc1ccccc1I)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide?
The InChIKey is CMHBJIDMJVBVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16INO3/c22-18-8-4-5-9-20(18)26-14-19(24)15-10-12-17(13-11-15)23-21(25)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25).
What are the key properties of N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide?
N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide has a molecular weight of 457.27 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide is sourced from PubChem (CID 38879314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).