N-(3-acetamidopropyl)-2-iodobenzamide

C12H15IN2O2 — CID 38450093

IUPACN-(3-acetamidopropyl)-2-iodobenzamide
SMILESCC(=O)NCCCNC(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O2/c1-9(16)14-7-4-8-15-12(17)10-5-2-3-6-11(10)13/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyMAGSDAGMVSEVGE-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.55
Rot. Bonds5

About N-(3-acetamidopropyl)-2-iodobenzamide

N-(3-acetamidopropyl)-2-iodobenzamide (PubChem CID 38450093) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-iodobenzamide
PubChem CID38450093
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC NameN-(3-acetamidopropyl)-2-iodobenzamide
SMILESCC(=O)NCCCNC(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O2/c1-9(16)14-7-4-8-15-12(17)10-5-2-3-6-11(10)13/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyMAGSDAGMVSEVGE-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide
CID 12032843
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-iodobenzamide?
The IUPAC name of N-(3-acetamidopropyl)-2-iodobenzamide (CID 38450093) is N-(3-acetamidopropyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-iodobenzamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-iodobenzamide is CC(=O)NCCCNC(=O)c1ccccc1I.
What is the InChIKey of N-(3-acetamidopropyl)-2-iodobenzamide?
The InChIKey is MAGSDAGMVSEVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-9(16)14-7-4-8-15-12(17)10-5-2-3-6-11(10)13/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamidopropyl)-2-iodobenzamide?
N-(3-acetamidopropyl)-2-iodobenzamide has a molecular weight of 346.17 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-iodobenzamide is sourced from PubChem (CID 38450093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).