N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide

C17H19IN2O2 — CID 55652450

IUPACN-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(I)cc2)ccc1N(C)C
InChIInChI=1S/C17H19IN2O2/c1-12-10-14(6-9-16(12)20(2)3)19-17(21)11-22-15-7-4-13(18)5-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyFJYVLWJSAMFLCT-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.68
Rot. Bonds5

About N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide

N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide (PubChem CID 55652450) has the molecular formula C17H19IN2O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide
PubChem CID55652450
Molecular FormulaC17H19IN2O2
Molecular Weight410.26 g/mol
Exact Mass410.05
IUPAC NameN-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(I)cc2)ccc1N(C)C
InChIInChI=1S/C17H19IN2O2/c1-12-10-14(6-9-16(12)20(2)3)19-17(21)11-22-15-7-4-13(18)5-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyFJYVLWJSAMFLCT-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624151
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17336026

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide (CID 55652450) is N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(I)cc2)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide?
The InChIKey is FJYVLWJSAMFLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O2/c1-12-10-14(6-9-16(12)20(2)3)19-17(21)11-22-15-7-4-13(18)5-8-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide?
N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide has a molecular weight of 410.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 55652450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).