N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide

C21H24FIN2O2 — CID 60518469

IUPACN-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide
SMILESCC(C)(C)CC(NC(=O)CNC(=O)c1ccccc1I)c1ccc(F)cc1
InChIInChI=1S/C21H24FIN2O2/c1-21(2,3)12-18(14-8-10-15(22)11-9-14)25-19(26)13-24-20(27)16-6-4-5-7-17(16)23/h4-11,18H,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyJNKIIFDVGVAESZ-UHFFFAOYSA-N
MW482.34 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide

N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 60518469) has the molecular formula C21H24FIN2O2 and a molecular weight of 482.34 g/mol. Its IUPAC name is N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide
PubChem CID60518469
Molecular FormulaC21H24FIN2O2
Molecular Weight482.34 g/mol
Exact Mass482.09
IUPAC NameN-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide
SMILESCC(C)(C)CC(NC(=O)CNC(=O)c1ccccc1I)c1ccc(F)cc1
InChIInChI=1S/C21H24FIN2O2/c1-21(2,3)12-18(14-8-10-15(22)11-9-14)25-19(26)13-24-20(27)16-6-4-5-7-17(16)23/h4-11,18H,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyJNKIIFDVGVAESZ-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
CID 55594145
N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
CID 56521765
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 40856393
N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47044236
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide (CID 60518469) is N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide is CC(C)(C)CC(NC(=O)CNC(=O)c1ccccc1I)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is JNKIIFDVGVAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FIN2O2/c1-21(2,3)12-18(14-8-10-15(22)11-9-14)25-19(26)13-24-20(27)16-6-4-5-7-17(16)23/h4-11,18H,12-13H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 482.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 60518469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).