2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide

C16H18IN2O+ — CID 8857926

IUPAC2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C16H17IN2O/c1-3-13-6-8-19(9-7-13)11-16(20)18-15-5-4-14(17)10-12(15)2/h4-10H,3,11H2,1-2H3/p+1
InChIKeyNRLKBFDUMFQZTG-UHFFFAOYSA-O
MW381.24 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide

2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 8857926) has the molecular formula C16H18IN2O+ and a molecular weight of 381.24 g/mol. Its IUPAC name is 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID8857926
Molecular FormulaC16H18IN2O+
Molecular Weight381.24 g/mol
Exact Mass381.05
IUPAC Name2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C16H17IN2O/c1-3-13-6-8-19(9-7-13)11-16(20)18-15-5-4-14(17)10-12(15)2/h4-10H,3,11H2,1-2H3/p+1
InChIKeyNRLKBFDUMFQZTG-UHFFFAOYSA-O
XLogP3.09
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8751313
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 8857954
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
dimethyl 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8857832
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
CID 60708310

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide (CID 8857926) is 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide is CCc1cc[n+](CC(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is NRLKBFDUMFQZTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17IN2O/c1-3-13-6-8-19(9-7-13)11-16(20)18-15-5-4-14(17)10-12(15)2/h4-10H,3,11H2,1-2H3/p+1.
What are the key properties of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 381.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 8857926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).