N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide

C16H15IN2O — CID 59717574

IUPACN-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide
SMILESC=Cc1ccccc1N(Cc1ncccc1I)C(C)=O
InChIInChI=1S/C16H15IN2O/c1-3-13-7-4-5-9-16(13)19(12(2)20)11-15-14(17)8-6-10-18-15/h3-10H,1,11H2,2H3
InChIKeyGJIUVZYDDUHEFE-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.88
Rot. Bonds4

About N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide

N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide (PubChem CID 59717574) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide
PubChem CID59717574
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC NameN-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide
SMILESC=Cc1ccccc1N(Cc1ncccc1I)C(C)=O
InChIInChI=1S/C16H15IN2O/c1-3-13-7-4-5-9-16(13)19(12(2)20)11-15-14(17)8-6-10-18-15/h3-10H,1,11H2,2H3
InChIKeyGJIUVZYDDUHEFE-UHFFFAOYSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-enyl-N-(2-iodophenyl)acetamide
CID 135080024
1-(3-iodo-2-pyridinyl)ethanone
CID 69164908
1-[3-(dimethylamino)-2-pyridinyl]prop-2-en-1-one
CID 70424436
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102
N-(2-aminophenyl)-N-prop-2-enylacetamide
CID 10702854
N,N-bis(2-methyl-3-pyridinyl)acetamide
CID 123651187
N-(2-bromophenyl)-N-but-3-enylacetamide
CID 15062818
2-[(3-ethenyl-2-pyridinyl)-[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoic acid
CID 167002262
CID 159564409
CID 159564409
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide?
The IUPAC name of N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide (CID 59717574) is N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide is C=Cc1ccccc1N(Cc1ncccc1I)C(C)=O.
What is the InChIKey of N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide?
The InChIKey is GJIUVZYDDUHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c1-3-13-7-4-5-9-16(13)19(12(2)20)11-15-14(17)8-6-10-18-15/h3-10H,1,11H2,2H3.
What are the key properties of N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide?
N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide has a molecular weight of 378.21 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 59717574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).