2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide

C22H19IN2O3 — CID 2204226

IUPAC2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C22H19IN2O3/c1-15-11-12-19(24-21(26)14-28-16-7-3-2-4-8-16)20(13-15)25-22(27)17-9-5-6-10-18(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUULVJZJQLPANNW-UHFFFAOYSA-N
MW486.31 g/mol
LogP4.87
Rot. Bonds6

About 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide

2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide (PubChem CID 2204226) has the molecular formula C22H19IN2O3 and a molecular weight of 486.31 g/mol. Its IUPAC name is 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
PubChem CID2204226
Molecular FormulaC22H19IN2O3
Molecular Weight486.31 g/mol
Exact Mass486.04
IUPAC Name2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C22H19IN2O3/c1-15-11-12-19(24-21(26)14-28-16-7-3-2-4-8-16)20(13-15)25-22(27)17-9-5-6-10-18(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUULVJZJQLPANNW-UHFFFAOYSA-N
XLogP4.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.31
LogP ≤ 54.87
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

3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
2-iodo-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide
CID 3519138
5-iodo-2-[(2-phenoxyacetyl)amino]benzamide
CID 122188000
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide (CID 2204226) is 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide is Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccccc2I)c1.
What is the InChIKey of 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The InChIKey is UULVJZJQLPANNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O3/c1-15-11-12-19(24-21(26)14-28-16-7-3-2-4-8-16)20(13-15)25-22(27)17-9-5-6-10-18(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide?
2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide has a molecular weight of 486.31 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 2204226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).