4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide

C19H12ClI2NO3 — CID 22763234

IUPAC4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(I)c(Oc2ccc(Cl)cc2)c(I)c1O
InChIInChI=1S/C19H12ClI2NO3/c20-11-6-8-13(9-7-11)26-18-15(21)10-14(17(24)16(18)22)19(25)23-12-4-2-1-3-5-12/h1-10,24H,(H,23,25)
InChIKeyLWZLWFPOZVENJD-UHFFFAOYSA-N
MW591.57 g/mol
LogP6.30
Rot. Bonds4

About 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide

4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide (PubChem CID 22763234) has the molecular formula C19H12ClI2NO3 and a molecular weight of 591.57 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide
PubChem CID22763234
Molecular FormulaC19H12ClI2NO3
Molecular Weight591.57 g/mol
Exact Mass590.86
IUPAC Name4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(I)c(Oc2ccc(Cl)cc2)c(I)c1O
InChIInChI=1S/C19H12ClI2NO3/c20-11-6-8-13(9-7-11)26-18-15(21)10-14(17(24)16(18)22)19(25)23-12-4-2-1-3-5-12/h1-10,24H,(H,23,25)
InChIKeyLWZLWFPOZVENJD-UHFFFAOYSA-N
XLogP6.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.57
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
CID 3949960
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
[2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite
CID 21127304
2-hydroxy-5-[4-(6-hydroxy-3-oxohexyl)-2,6-diiodophenoxy]-N-phenylbenzamide
CID 159354151
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
2-phenoxy-N-phenylbenzamide
CID 3402306
2,3-bis(4-chlorophenoxy)naphthalene-1,4-diol
CID 19886874

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide?
The IUPAC name of 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide (CID 22763234) is 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide?
The canonical SMILES for 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc(I)c(Oc2ccc(Cl)cc2)c(I)c1O.
What is the InChIKey of 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide?
The InChIKey is LWZLWFPOZVENJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClI2NO3/c20-11-6-8-13(9-7-11)26-18-15(21)10-14(17(24)16(18)22)19(25)23-12-4-2-1-3-5-12/h1-10,24H,(H,23,25).
What are the key properties of 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide?
4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide has a molecular weight of 591.57 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide is sourced from PubChem (CID 22763234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).