N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

C14H14IN2O+ — CID 8827070

IUPACN-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](CC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C14H13IN2O/c1-11-6-8-17(9-7-11)10-14(18)16-13-5-3-2-4-12(13)15/h2-9H,10H2,1H3/p+1
InChIKeyUVKNCRCBSUVRSH-UHFFFAOYSA-O
MW353.18 g/mol
LogP2.53
Rot. Bonds3

About N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8827070) has the molecular formula C14H14IN2O+ and a molecular weight of 353.18 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8827070
Molecular FormulaC14H14IN2O+
Molecular Weight353.18 g/mol
Exact Mass353.01
IUPAC NameN-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](CC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C14H13IN2O/c1-11-6-8-17(9-7-11)10-14(18)16-13-5-3-2-4-12(13)15/h2-9H,10H2,1H3/p+1
InChIKeyUVKNCRCBSUVRSH-UHFFFAOYSA-O
XLogP2.53
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 52.53
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

N-(2-iodophenyl)-2-methylsulfonylacetamide
CID 47207428
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 4624473
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827705
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 8857954
N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
CID 19993656
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8857926
(2S,3S)-2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099851
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958727

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (CID 8827070) is N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is Cc1cc[n+](CC(=O)Nc2ccccc2I)cc1.
What is the InChIKey of N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is UVKNCRCBSUVRSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13IN2O/c1-11-6-8-17(9-7-11)10-14(18)16-13-5-3-2-4-12(13)15/h2-9H,10H2,1H3/p+1.
What are the key properties of N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 353.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8827070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).