3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide

C11H12INO2 — CID 104956229

IUPAC3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H12INO2/c1-3-6-13(2)11(15)8-4-5-9(12)10(14)7-8/h3-5,7,14H,1,6H2,2H3
InChIKeyIAEPFJKJWGSNDT-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.25
Rot. Bonds3

About 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide

3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide (PubChem CID 104956229) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
PubChem CID104956229
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H12INO2/c1-3-6-13(2)11(15)8-4-5-9(12)10(14)7-8/h3-5,7,14H,1,6H2,2H3
InChIKeyIAEPFJKJWGSNDT-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627771
ethyl 2-[(3-hydroxy-4-iodobenzoyl)-methylamino]acetate
CID 113434712
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104627629
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
3-hydroxy-4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104627430
N-methyl-N-prop-2-enyl-3-sulfanylbenzamide
CID 107033477
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
3-hydroxy-4-iodo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 104629307
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
CID 104632622
3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 104627774
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide (CID 104956229) is 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide is C=CCN(C)C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide?
The InChIKey is IAEPFJKJWGSNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c1-3-6-13(2)11(15)8-4-5-9(12)10(14)7-8/h3-5,7,14H,1,6H2,2H3.
What are the key properties of 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide?
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide has a molecular weight of 317.13 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 104956229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).