4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide

C12H12INO2 — CID 150916314

IUPAC4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
SMILESC=C(C)C(=O)c1cc(I)ccc1C(=O)NC
InChIInChI=1S/C12H12INO2/c1-7(2)11(15)10-6-8(13)4-5-9(10)12(16)14-3/h4-6H,1H2,2-3H3,(H,14,16)
InChIKeyLDBMKSIANMEXSS-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.41
Rot. Bonds3

About 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide

4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide (PubChem CID 150916314) has the molecular formula C12H12INO2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
PubChem CID150916314
Molecular FormulaC12H12INO2
Molecular Weight329.14 g/mol
Exact Mass328.99
IUPAC Name4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
SMILESC=C(C)C(=O)c1cc(I)ccc1C(=O)NC
InChIInChI=1S/C12H12INO2/c1-7(2)11(15)10-6-8(13)4-5-9(10)12(16)14-3/h4-6H,1H2,2-3H3,(H,14,16)
InChIKeyLDBMKSIANMEXSS-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?
The IUPAC name of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide (CID 150916314) is 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide.
What is the SMILES notation for 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?
The canonical SMILES for 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide is C=C(C)C(=O)c1cc(I)ccc1C(=O)NC.
What is the InChIKey of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?
The InChIKey is LDBMKSIANMEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2/c1-7(2)11(15)10-6-8(13)4-5-9(10)12(16)14-3/h4-6H,1H2,2-3H3,(H,14,16).
What are the key properties of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?
4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide has a molecular weight of 329.14 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide is sourced from PubChem (CID 150916314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).