N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide

C20H14ClI2NO3 — CID 90645530

IUPACN-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide
SMILESCOc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14ClI2NO3/c1-26-19-17(10-13(22)11-18(19)23)20(25)24-14-4-8-16(9-5-14)27-15-6-2-12(21)3-7-15/h2-11H,1H3,(H,24,25)
InChIKeyAMRQEBOWHMWKIR-UHFFFAOYSA-N
MW605.60 g/mol
LogP6.60
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide

N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide (PubChem CID 90645530) has the molecular formula C20H14ClI2NO3 and a molecular weight of 605.60 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide
PubChem CID90645530
Molecular FormulaC20H14ClI2NO3
Molecular Weight605.60 g/mol
Exact Mass604.88
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide
SMILESCOc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14ClI2NO3/c1-26-19-17(10-13(22)11-18(19)23)20(25)24-14-4-8-16(9-5-14)27-15-6-2-12(21)3-7-15/h2-11H,1H3,(H,24,25)
InChIKeyAMRQEBOWHMWKIR-UHFFFAOYSA-N
XLogP6.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.60
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide (CID 90645530) is N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide is COc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide?
The InChIKey is AMRQEBOWHMWKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClI2NO3/c1-26-19-17(10-13(22)11-18(19)23)20(25)24-14-4-8-16(9-5-14)27-15-6-2-12(21)3-7-15/h2-11H,1H3,(H,24,25).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide?
N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide has a molecular weight of 605.60 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodo-2-methoxybenzamide is sourced from PubChem (CID 90645530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).