2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide

C16H13IN2O2 — CID 8874271

IUPAC2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C#N)cc1I
InChIInChI=1S/C16H13IN2O2/c1-11-6-7-13(8-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20)
InChIKeyYKVQCDMLADOEAA-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.49
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide

2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide (PubChem CID 8874271) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
PubChem CID8874271
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC Name2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C#N)cc1I
InChIInChI=1S/C16H13IN2O2/c1-11-6-7-13(8-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20)
InChIKeyYKVQCDMLADOEAA-UHFFFAOYSA-N
XLogP3.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
CID 7382555
2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 78779251
methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 18287456
methyl 3-[2-[3-[[2-(2-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18204444
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide (CID 8874271) is 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccccc2C#N)cc1I.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
The InChIKey is YKVQCDMLADOEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c1-11-6-7-13(8-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide?
2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide has a molecular weight of 392.20 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide is sourced from PubChem (CID 8874271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).