3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide

C17H16INO2 — CID 17097969

IUPAC3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C17H16INO2/c1-3-10-21-16-7-5-4-6-15(16)19-17(20)13-9-8-12(2)14(18)11-13/h3-9,11H,1,10H2,2H3,(H,19,20)
InChIKeyKUGSJQRMRIDPII-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.42
Rot. Bonds5

About 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide

3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide (PubChem CID 17097969) has the molecular formula C17H16INO2 and a molecular weight of 393.22 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide
PubChem CID17097969
Molecular FormulaC17H16INO2
Molecular Weight393.22 g/mol
Exact Mass393.02
IUPAC Name3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C17H16INO2/c1-3-10-21-16-7-5-4-6-15(16)19-17(20)13-9-8-12(2)14(18)11-13/h3-9,11H,1,10H2,2H3,(H,19,20)
InChIKeyKUGSJQRMRIDPII-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.42
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

3-iodo-4-methyl-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098260
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334
3-bromo-4-(3-methylbutoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098035
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
[2-(propanoylamino)phenyl] 3-iodo-4-methylbenzoate
CID 4954849
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54817694

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide (CID 17097969) is 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide is C=CCOc1ccccc1NC(=O)c1ccc(C)c(I)c1.
What is the InChIKey of 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide?
The InChIKey is KUGSJQRMRIDPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO2/c1-3-10-21-16-7-5-4-6-15(16)19-17(20)13-9-8-12(2)14(18)11-13/h3-9,11H,1,10H2,2H3,(H,19,20).
What are the key properties of 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide?
3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide has a molecular weight of 393.22 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17097969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).