N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide

C16H24INO — CID 100527557

IUPACN-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccc(C)cc1I
InChIInChI=1S/C16H24INO/c1-4-6-7-13(5-2)11-18-16(19)14-9-8-12(3)10-15(14)17/h8-10,13H,4-7,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyBULXZGUBENHQAC-ZDUSSCGKSA-N
MW373.28 g/mol
LogP4.55
Rot. Bonds7

About N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide

N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide (PubChem CID 100527557) has the molecular formula C16H24INO and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
PubChem CID100527557
Molecular FormulaC16H24INO
Molecular Weight373.28 g/mol
Exact Mass373.09
IUPAC NameN-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccc(C)cc1I
InChIInChI=1S/C16H24INO/c1-4-6-7-13(5-2)11-18-16(19)14-9-8-12(3)10-15(14)17/h8-10,13H,4-7,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyBULXZGUBENHQAC-ZDUSSCGKSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.55
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

2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
N-[(2R)-2-ethylhexyl]-2-methylfuran-3-carboxamide
CID 40537880
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
CID 114317834
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide
CID 113276417
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide (CID 100527557) is N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide is CCCC[C@H](CC)CNC(=O)c1ccc(C)cc1I.
What is the InChIKey of N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide?
The InChIKey is BULXZGUBENHQAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24INO/c1-4-6-7-13(5-2)11-18-16(19)14-9-8-12(3)10-15(14)17/h8-10,13H,4-7,11H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide?
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide has a molecular weight of 373.28 g/mol, XLogP of 4.55, 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]-2-iodo-4-methylbenzamide is sourced from PubChem (CID 100527557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).