N-[(2S)-2-ethylhexyl]-4-iodobenzamide

C15H22INO — CID 95356323

IUPACN-[(2S)-2-ethylhexyl]-4-iodobenzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H22INO/c1-3-5-6-12(4-2)11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyHAGDNTVEPYIJKY-LBPRGKRZSA-N
MW359.25 g/mol
LogP4.24
Rot. Bonds7

About N-[(2S)-2-ethylhexyl]-4-iodobenzamide

N-[(2S)-2-ethylhexyl]-4-iodobenzamide (PubChem CID 95356323) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]-4-iodobenzamide
PubChem CID95356323
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC NameN-[(2S)-2-ethylhexyl]-4-iodobenzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H22INO/c1-3-5-6-12(4-2)11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyHAGDNTVEPYIJKY-LBPRGKRZSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.24
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

4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
CID 103790246
3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]-4-iodobenzamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]-4-iodobenzamide (CID 95356323) is N-[(2S)-2-ethylhexyl]-4-iodobenzamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]-4-iodobenzamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]-4-iodobenzamide is CCCC[C@H](CC)CNC(=O)c1ccc(I)cc1.
What is the InChIKey of N-[(2S)-2-ethylhexyl]-4-iodobenzamide?
The InChIKey is HAGDNTVEPYIJKY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22INO/c1-3-5-6-12(4-2)11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]-4-iodobenzamide?
N-[(2S)-2-ethylhexyl]-4-iodobenzamide has a molecular weight of 359.25 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]-4-iodobenzamide is sourced from PubChem (CID 95356323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).