N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide

C17H17IN2O3 — CID 38879134

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2ccccc2I)c(C)c1
InChIInChI=1S/C17H17IN2O3/c1-11-7-8-14(12(2)9-11)19-17(22)20-16(21)10-23-15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyLMKSIMGQCGBYJK-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.64
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide (PubChem CID 38879134) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide
PubChem CID38879134
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2ccccc2I)c(C)c1
InChIInChI=1S/C17H17IN2O3/c1-11-7-8-14(12(2)9-11)19-17(22)20-16(21)10-23-15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyLMKSIMGQCGBYJK-UHFFFAOYSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.64
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-acetylphenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 112781528
2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethoxy]benzamide
CID 7199369
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396
N-(4-amino-2-methylphenyl)-2-(2-iodophenoxy)acetamide
CID 43479664
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2632532
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
CID 7834460
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7578048
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7889939
N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527827
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide (CID 38879134) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide is Cc1ccc(NC(=O)NC(=O)COc2ccccc2I)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide?
The InChIKey is LMKSIMGQCGBYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3/c1-11-7-8-14(12(2)9-11)19-17(22)20-16(21)10-23-15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide has a molecular weight of 424.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide is sourced from PubChem (CID 38879134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).