3-iodo-N-(2-methoxyethyl)-N-methylbenzamide

C11H14INO2 — CID 61072173

IUPAC3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1cccc(I)c1
InChIInChI=1S/C11H14INO2/c1-13(6-7-15-2)11(14)9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyQNXUCHFLJQDZJU-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.01
Rot. Bonds4

About 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide

3-iodo-N-(2-methoxyethyl)-N-methylbenzamide (PubChem CID 61072173) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
PubChem CID61072173
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1cccc(I)c1
InChIInChI=1S/C11H14INO2/c1-13(6-7-15-2)11(14)9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyQNXUCHFLJQDZJU-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate
CID 138647733
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 163865741
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 60631085
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide?
The IUPAC name of 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide (CID 61072173) is 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide.
What is the SMILES notation for 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide?
The canonical SMILES for 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide is COCCN(C)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide?
The InChIKey is QNXUCHFLJQDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-13(6-7-15-2)11(14)9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide?
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide has a molecular weight of 319.14 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-methoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 61072173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).