2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide

C15H18INO — CID 12032843

IUPAC2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide
SMILESCC(C)=C=CCCCNC(=O)c1ccccc1I
InChIInChI=1S/C15H18INO/c1-12(2)8-4-3-7-11-17-15(18)13-9-5-6-10-14(13)16/h4-6,9-10H,3,7,11H2,1-2H3,(H,17,18)
InChIKeyXMKIFNVKVROMND-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.92
Rot. Bonds5

About 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide

2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide (PubChem CID 12032843) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide
PubChem CID12032843
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC Name2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide
SMILESCC(C)=C=CCCCNC(=O)c1ccccc1I
InChIInChI=1S/C15H18INO/c1-12(2)8-4-3-7-11-17-15(18)13-9-5-6-10-14(13)16/h4-6,9-10H,3,7,11H2,1-2H3,(H,17,18)
InChIKeyXMKIFNVKVROMND-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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CID 38450093
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N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
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
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
2-iodo-N-prop-2-ynylbenzamide
CID 18110013

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide?
The IUPAC name of 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide (CID 12032843) is 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide.
What is the SMILES notation for 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide?
The canonical SMILES for 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide is CC(C)=C=CCCCNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide?
The InChIKey is XMKIFNVKVROMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO/c1-12(2)8-4-3-7-11-17-15(18)13-9-5-6-10-14(13)16/h4-6,9-10H,3,7,11H2,1-2H3,(H,17,18).
What are the key properties of 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide?
2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide has a molecular weight of 355.22 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(6-methylhepta-4,5-dienyl)benzamide is sourced from PubChem (CID 12032843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).