N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide

C21H24INO — CID 71500524

IUPACN-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide
SMILESC=Cc1cc(CCCCCC)ccc1NC(=O)c1ccccc1I
InChIInChI=1S/C21H24INO/c1-3-5-6-7-10-16-13-14-20(17(4-2)15-16)23-21(24)18-11-8-9-12-19(18)22/h4,8-9,11-15H,2-3,5-7,10H2,1H3,(H,23,24)
InChIKeyBUTISCMOILPDCB-UHFFFAOYSA-N
MW433.33 g/mol
LogP6.31
Rot. Bonds8

About N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide

N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide (PubChem CID 71500524) has the molecular formula C21H24INO and a molecular weight of 433.33 g/mol. Its IUPAC name is N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide
PubChem CID71500524
Molecular FormulaC21H24INO
Molecular Weight433.33 g/mol
Exact Mass433.09
IUPAC NameN-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide
SMILESC=Cc1cc(CCCCCC)ccc1NC(=O)c1ccccc1I
InChIInChI=1S/C21H24INO/c1-3-5-6-7-10-16-13-14-20(17(4-2)15-16)23-21(24)18-11-8-9-12-19(18)22/h4,8-9,11-15H,2-3,5-7,10H2,1H3,(H,23,24)
InChIKeyBUTISCMOILPDCB-UHFFFAOYSA-N
XLogP6.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.33
LogP ≤ 56.31
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

5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
2-[(2-anilino-4-pentylbenzoyl)amino]benzoic acid
CID 139801198
5-[[3-carboxy-4-[(2-iodobenzoyl)amino]phenyl]methyl]-2-[(2-iodobenzoyl)amino]benzoic acid
CID 3118187
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
CID 53267898
5-hexyl-2-(methylamino)benzoic acid
CID 142177835
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide?
The IUPAC name of N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide (CID 71500524) is N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide?
The canonical SMILES for N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide is C=Cc1cc(CCCCCC)ccc1NC(=O)c1ccccc1I.
What is the InChIKey of N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide?
The InChIKey is BUTISCMOILPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24INO/c1-3-5-6-7-10-16-13-14-20(17(4-2)15-16)23-21(24)18-11-8-9-12-19(18)22/h4,8-9,11-15H,2-3,5-7,10H2,1H3,(H,23,24).
What are the key properties of N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide?
N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide has a molecular weight of 433.33 g/mol, XLogP of 6.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide is sourced from PubChem (CID 71500524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).