N-but-2-enyl-N-(2-iodophenyl)acetamide

C12H14INO — CID 135080024

IUPACN-but-2-enyl-N-(2-iodophenyl)acetamide
SMILESCC=CCN(C(C)=O)c1ccccc1I
InChIInChI=1S/C12H14INO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h3-8H,9H2,1-2H3
InChIKeyCGTUHKKWFNPCGE-UHFFFAOYSA-N
MW315.15 g/mol
LogP3.22
Rot. Bonds3

About N-but-2-enyl-N-(2-iodophenyl)acetamide

N-but-2-enyl-N-(2-iodophenyl)acetamide (PubChem CID 135080024) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is N-but-2-enyl-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound NameN-but-2-enyl-N-(2-iodophenyl)acetamide
PubChem CID135080024
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC NameN-but-2-enyl-N-(2-iodophenyl)acetamide
SMILESCC=CCN(C(C)=O)c1ccccc1I
InChIInChI=1S/C12H14INO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h3-8H,9H2,1-2H3
InChIKeyCGTUHKKWFNPCGE-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-N-methylbut-2-enamide
CID 71427482
N-[(E)-but-2-enyl]-N-phenylpropanamide
CID 134899700
N-[(E)-but-2-enyl]-2,2,2-trifluoro-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
CID 87496605
N-(2-aminophenyl)-N-prop-2-enylacetamide
CID 10702854
N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
CID 165178394
(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid
CID 90422752
1-(N-acetyl-2-iodoanilino)ethanesulfinate
CID 174975615
tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
CID 132516346
N-(2-iodophenyl)-N-methylpropanamide
CID 15063897
N-(2-ethenylphenyl)-N-[(3-iodo-2-pyridinyl)methyl]acetamide
CID 59717574
N-[(E)-3-chloroprop-2-enyl]-2-iodo-N-methylaniline
CID 131231742
N-but-2-ynyl-N-(2-iodophenyl)benzamide
CID 14943562

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N-(2-iodophenyl)acetamide?
The IUPAC name of N-but-2-enyl-N-(2-iodophenyl)acetamide (CID 135080024) is N-but-2-enyl-N-(2-iodophenyl)acetamide.
What is the SMILES notation for N-but-2-enyl-N-(2-iodophenyl)acetamide?
The canonical SMILES for N-but-2-enyl-N-(2-iodophenyl)acetamide is CC=CCN(C(C)=O)c1ccccc1I.
What is the InChIKey of N-but-2-enyl-N-(2-iodophenyl)acetamide?
The InChIKey is CGTUHKKWFNPCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h3-8H,9H2,1-2H3.
What are the key properties of N-but-2-enyl-N-(2-iodophenyl)acetamide?
N-but-2-enyl-N-(2-iodophenyl)acetamide has a molecular weight of 315.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 135080024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).