2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide

C25H23I2NO5 — CID 159354151

IUPAC2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide
SMILESO=C(CCCO)CCc1cc(I)c(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(I)c1
InChIInChI=1S/C25H23I2NO5/c26-21-13-16(8-9-18(30)7-4-12-29)14-22(27)24(21)33-19-10-11-23(31)20(15-19)25(32)28-17-5-2-1-3-6-17/h1-3,5-6,10-11,13-15,29,31H,4,7-9,12H2,(H,28,32)
InChIKeyLHSCRWRQOSDPDZ-UHFFFAOYSA-N
MW671.27 g/mol
LogP5.92
Rot. Bonds10

About 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide

2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide (PubChem CID 159354151) has the molecular formula C25H23I2NO5 and a molecular weight of 671.27 g/mol. Its IUPAC name is 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide
PubChem CID159354151
Molecular FormulaC25H23I2NO5
Molecular Weight671.27 g/mol
Exact Mass670.97
IUPAC Name2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide
SMILESO=C(CCCO)CCc1cc(I)c(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(I)c1
InChIInChI=1S/C25H23I2NO5/c26-21-13-16(8-9-18(30)7-4-12-29)14-22(27)24(21)33-19-10-11-23(31)20(15-19)25(32)28-17-5-2-1-3-6-17/h1-3,5-6,10-11,13-15,29,31H,4,7-9,12H2,(H,28,32)
InChIKeyLHSCRWRQOSDPDZ-UHFFFAOYSA-N
XLogP5.92
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.27
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2,6-dimethyl-4-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide
CID 144504692
4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide
CID 22763234
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate
CID 158196925
N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide
CID 123373893
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide?
The IUPAC name of 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide (CID 159354151) is 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide?
The canonical SMILES for 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide is O=C(CCCO)CCc1cc(I)c(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(I)c1.
What is the InChIKey of 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide?
The InChIKey is LHSCRWRQOSDPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23I2NO5/c26-21-13-16(8-9-18(30)7-4-12-29)14-22(27)24(21)33-19-10-11-23(31)20(15-19)25(32)28-17-5-2-1-3-6-17/h1-3,5-6,10-11,13-15,29,31H,4,7-9,12H2,(H,28,32).
What are the key properties of 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide?
2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide has a molecular weight of 671.27 g/mol, XLogP of 5.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide is sourced from PubChem (CID 159354151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).