N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide

C16H17IN2O3 — CID 26506677

IUPACN-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide
SMILESCOc1cc(NC(=O)CNc2ccccc2I)cc(OC)c1
InChIInChI=1S/C16H17IN2O3/c1-21-12-7-11(8-13(9-12)22-2)19-16(20)10-18-15-6-4-3-5-14(15)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyXSTKVLZLZCFIFC-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.36
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide

N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide (PubChem CID 26506677) has the molecular formula C16H17IN2O3 and a molecular weight of 412.23 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide
PubChem CID26506677
Molecular FormulaC16H17IN2O3
Molecular Weight412.23 g/mol
Exact Mass412.03
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide
SMILESCOc1cc(NC(=O)CNc2ccccc2I)cc(OC)c1
InChIInChI=1S/C16H17IN2O3/c1-21-12-7-11(8-13(9-12)22-2)19-16(20)10-18-15-6-4-3-5-14(15)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyXSTKVLZLZCFIFC-UHFFFAOYSA-N
XLogP3.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
2-(4-chloro-2-methylanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 26507119
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide (CID 26506677) is N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide is COc1cc(NC(=O)CNc2ccccc2I)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide?
The InChIKey is XSTKVLZLZCFIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3/c1-21-12-7-11(8-13(9-12)22-2)19-16(20)10-18-15-6-4-3-5-14(15)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide?
N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide has a molecular weight of 412.23 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide is sourced from PubChem (CID 26506677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).