2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide

C17H19IN2O — CID 55434677

IUPAC2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1I)c1ccccc1C
InChIInChI=1S/C17H19IN2O/c1-3-20(16-11-7-4-8-13(16)2)12-17(21)19-15-10-6-5-9-14(15)18/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyCTYAVWSBNPUDHR-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.06
Rot. Bonds5

About 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide

2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide (PubChem CID 55434677) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide
PubChem CID55434677
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC Name2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1I)c1ccccc1C
InChIInChI=1S/C17H19IN2O/c1-3-20(16-11-7-4-8-13(16)2)12-17(21)19-15-10-6-5-9-14(15)18/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyCTYAVWSBNPUDHR-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(N-ethyl-2,4-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 78903764
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
CID 55898056
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019
2-(N-ethyl-2-methylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 47121669
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
CID 60689127
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
CID 63229896

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide (CID 55434677) is 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide is CCN(CC(=O)Nc1ccccc1I)c1ccccc1C.
What is the InChIKey of 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide?
The InChIKey is CTYAVWSBNPUDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-3-20(16-11-7-4-8-13(16)2)12-17(21)19-15-10-6-5-9-14(15)18/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide?
2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide has a molecular weight of 394.26 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 55434677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).