4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide

C17H15Cl2IN2O2 — CID 38910526

IUPAC4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1I
InChIInChI=1S/C17H15Cl2IN2O2/c18-11-1-3-13(14(20)9-11)17(23)21-15-10-12(19)2-4-16(15)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyIWILXZVQBJNCTG-UHFFFAOYSA-N
MW477.13 g/mol
LogP4.69
Rot. Bonds3

About 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide

4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide (PubChem CID 38910526) has the molecular formula C17H15Cl2IN2O2 and a molecular weight of 477.13 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
PubChem CID38910526
Molecular FormulaC17H15Cl2IN2O2
Molecular Weight477.13 g/mol
Exact Mass475.96
IUPAC Name4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1I
InChIInChI=1S/C17H15Cl2IN2O2/c18-11-1-3-13(14(20)9-11)17(23)21-15-10-12(19)2-4-16(15)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyIWILXZVQBJNCTG-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.13
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16550996
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-iodobenzamide
CID 3297915
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide (CID 38910526) is 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide?
The InChIKey is IWILXZVQBJNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2IN2O2/c18-11-1-3-13(14(20)9-11)17(23)21-15-10-12(19)2-4-16(15)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23).
What are the key properties of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide?
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide has a molecular weight of 477.13 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide is sourced from PubChem (CID 38910526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).