4-iodo-N-(3-iodopropyl)benzamide

C10H11I2NO — CID 114504016

IUPAC4-iodo-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1ccc(I)cc1
InChIInChI=1S/C10H11I2NO/c11-6-1-7-13-10(14)8-2-4-9(12)5-3-8/h2-5H,1,6-7H2,(H,13,14)
InChIKeyBLHQDYCRZHROPI-UHFFFAOYSA-N
MW415.01 g/mol
LogP2.85
Rot. Bonds4

About 4-iodo-N-(3-iodopropyl)benzamide

4-iodo-N-(3-iodopropyl)benzamide (PubChem CID 114504016) has the molecular formula C10H11I2NO and a molecular weight of 415.01 g/mol. Its IUPAC name is 4-iodo-N-(3-iodopropyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(3-iodopropyl)benzamide
PubChem CID114504016
Molecular FormulaC10H11I2NO
Molecular Weight415.01 g/mol
Exact Mass414.89
IUPAC Name4-iodo-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1ccc(I)cc1
InChIInChI=1S/C10H11I2NO/c11-6-1-7-13-10(14)8-2-4-9(12)5-3-8/h2-5H,1,6-7H2,(H,13,14)
InChIKeyBLHQDYCRZHROPI-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.01
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide
CID 112727989
4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
N-(2-azidoethyl)-4-iodobenzamide
CID 61342879

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-iodopropyl)benzamide?
The IUPAC name of 4-iodo-N-(3-iodopropyl)benzamide (CID 114504016) is 4-iodo-N-(3-iodopropyl)benzamide.
What is the SMILES notation for 4-iodo-N-(3-iodopropyl)benzamide?
The canonical SMILES for 4-iodo-N-(3-iodopropyl)benzamide is O=C(NCCCI)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(3-iodopropyl)benzamide?
The InChIKey is BLHQDYCRZHROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11I2NO/c11-6-1-7-13-10(14)8-2-4-9(12)5-3-8/h2-5H,1,6-7H2,(H,13,14).
What are the key properties of 4-iodo-N-(3-iodopropyl)benzamide?
4-iodo-N-(3-iodopropyl)benzamide has a molecular weight of 415.01 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-iodopropyl)benzamide is sourced from PubChem (CID 114504016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).