2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide

C22H19IN2O3 — CID 112778621

IUPAC2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1cc(I)ccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H19IN2O3/c1-15-13-16(23)11-12-19(15)25-21(26)14-28-20-10-6-5-9-18(20)22(27)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyDJUXIOWTRKLFCC-UHFFFAOYSA-N
MW486.31 g/mol
LogP4.87
Rot. Bonds6

About 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 112778621) has the molecular formula C22H19IN2O3 and a molecular weight of 486.31 g/mol. Its IUPAC name is 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID112778621
Molecular FormulaC22H19IN2O3
Molecular Weight486.31 g/mol
Exact Mass486.04
IUPAC Name2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1cc(I)ccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H19IN2O3/c1-15-13-16(23)11-12-19(15)25-21(26)14-28-20-10-6-5-9-18(20)22(27)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyDJUXIOWTRKLFCC-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

2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 112774643
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 26675454
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid
CID 45418047
N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
CID 1421738
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
CID 41428666
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide (CID 112778621) is 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide is Cc1cc(I)ccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is DJUXIOWTRKLFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O3/c1-15-13-16(23)11-12-19(15)25-21(26)14-28-20-10-6-5-9-18(20)22(27)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide 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-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 112778621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).