2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

C13H18INO2 — CID 82951561

IUPAC2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccccc1I)C(C)C
InChIInChI=1S/C13H18INO2/c1-10(2)15(8-9-17-3)13(16)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyKNNZHFQMUWVQCM-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.79
Rot. Bonds5

About 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (PubChem CID 82951561) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
PubChem CID82951561
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC Name2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccccc1I)C(C)C
InChIInChI=1S/C13H18INO2/c1-10(2)15(8-9-17-3)13(16)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyKNNZHFQMUWVQCM-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.79
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

2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82948658
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
N-butan-2-yl-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62249354
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (CID 82951561) is 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is COCCN(C(=O)c1ccccc1I)C(C)C.
What is the InChIKey of 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is KNNZHFQMUWVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-10(2)15(8-9-17-3)13(16)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 82951561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).