2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide

C16H17IN2O2 — CID 26506643

IUPAC2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccccc1I
InChIInChI=1S/C16H17IN2O2/c1-11-7-8-15(21-2)14(9-11)19-16(20)10-18-13-6-4-3-5-12(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyYHUFKNIRCRNIFB-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.66
Rot. Bonds5

About 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide

2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 26506643) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID26506643
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC Name2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccccc1I
InChIInChI=1S/C16H17IN2O2/c1-11-7-8-15(21-2)14(9-11)19-16(20)10-18-13-6-4-3-5-12(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyYHUFKNIRCRNIFB-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.66
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-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
N-(2-iodophenyl)-2-methoxy-5-methylbenzamide
CID 34049921
[2-(2-iodoanilino)-2-oxoethyl] 2-methoxy-5-methylbenzoate
CID 35222238
N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide
CID 26506677
N-(2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 46797713
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 47064346
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide (CID 26506643) is 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNc1ccccc1I.
What is the InChIKey of 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is YHUFKNIRCRNIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c1-11-7-8-15(21-2)14(9-11)19-16(20)10-18-13-6-4-3-5-12(13)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 396.23 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 26506643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).