N-[2-(1-adamantyl)ethyl]-2-iodobenzamide

C19H24INO — CID 23968567

IUPACN-[2-(1-adamantyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1I
InChIInChI=1S/C19H24INO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeySDKBPIGILACUJL-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.63
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-2-iodobenzamide

N-[2-(1-adamantyl)ethyl]-2-iodobenzamide (PubChem CID 23968567) has the molecular formula C19H24INO and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-iodobenzamide
PubChem CID23968567
Molecular FormulaC19H24INO
Molecular Weight409.31 g/mol
Exact Mass409.09
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1I
InChIInChI=1S/C19H24INO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeySDKBPIGILACUJL-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517
N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
CID 106852949
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
CID 18286681
N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide
CID 24656137
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108539739

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-iodobenzamide (CID 23968567) is N-[2-(1-adamantyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-iodobenzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1I.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-iodobenzamide?
The InChIKey is SDKBPIGILACUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24INO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-iodobenzamide?
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide has a molecular weight of 409.31 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 23968567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).