N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide

C12H12INO — CID 86040463

IUPACN-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide
SMILESC=C=CN(Cc1ccccc1I)C(C)=O
InChIInChI=1S/C12H12INO/c1-3-8-14(10(2)15)9-11-6-4-5-7-12(11)13/h4-8H,1,9H2,2H3
InChIKeyJDSJFBRGDQBPJW-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.94
Rot. Bonds3

About N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide

N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide (PubChem CID 86040463) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide.

Molecular Properties

Compound NameN-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide
PubChem CID86040463
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC NameN-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide
SMILESC=C=CN(Cc1ccccc1I)C(C)=O
InChIInChI=1S/C12H12INO/c1-3-8-14(10(2)15)9-11-6-4-5-7-12(11)13/h4-8H,1,9H2,2H3
InChIKeyJDSJFBRGDQBPJW-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-iodo-N-propa-1,2-dienylbenzamide
CID 86040490
N-[[2-[(benzylamino)methyl]phenyl]methyl]-2-iodo-N-propa-1,2-dienylbenzamide
CID 11431893
1-[benzyl-[(2-iodophenyl)methyl]amino]propan-2-one
CID 86212256
4-[benzyl-[(2-iodophenyl)methyl]amino]butan-2-one
CID 86212404
2-[(2-iodophenyl)methyl-methylamino]acetic acid
CID 66568489
(2R,3R)-2,3-bis[(2-iodophenyl)methyl-methylamino]-1,4-diphenylbutane-1,4-dione
CID 11050868
(2S)-2-amino-N-[(2-iodophenyl)methyl]-N-methylpropanamide
CID 66568428
(2-buta-2,3-dienylphenyl) acetate
CID 91460850
1-iodo-2-(propa-1,2-dienoxymethyl)benzene
CID 11065564
ethyl (Z)-7-[acetyl-[(2-iodophenyl)methyl]amino]hept-2-enoate
CID 10455294
N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide
CID 23192794
tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
CID 132516346

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide?
The IUPAC name of N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide (CID 86040463) is N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide.
What is the SMILES notation for N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide?
The canonical SMILES for N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide is C=C=CN(Cc1ccccc1I)C(C)=O.
What is the InChIKey of N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide?
The InChIKey is JDSJFBRGDQBPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c1-3-8-14(10(2)15)9-11-6-4-5-7-12(11)13/h4-8H,1,9H2,2H3.
What are the key properties of N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide?
N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide has a molecular weight of 313.14 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylacetamide is sourced from PubChem (CID 86040463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).