N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide

C18H15ClIN3O2 — CID 36562769

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
SMILESO=C(COc1cccc(I)c1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C18H15ClIN3O2/c19-16-7-2-1-4-13(16)11-23-17(8-9-21-23)22-18(24)12-25-15-6-3-5-14(20)10-15/h1-10H,11-12H2,(H,22,24)
InChIKeyOLLJLKFIXOWEBE-UHFFFAOYSA-N
MW467.69 g/mol
LogP4.21
Rot. Bonds6

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide (PubChem CID 36562769) has the molecular formula C18H15ClIN3O2 and a molecular weight of 467.69 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
PubChem CID36562769
Molecular FormulaC18H15ClIN3O2
Molecular Weight467.69 g/mol
Exact Mass466.99
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
SMILESO=C(COc1cccc(I)c1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C18H15ClIN3O2/c19-16-7-2-1-4-13(16)11-23-17(8-9-21-23)22-18(24)12-25-15-6-3-5-14(20)10-15/h1-10H,11-12H2,(H,22,24)
InChIKeyOLLJLKFIXOWEBE-UHFFFAOYSA-N
XLogP4.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.69
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide (CID 36562769) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide is O=C(COc1cccc(I)c1)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide?
The InChIKey is OLLJLKFIXOWEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClIN3O2/c19-16-7-2-1-4-13(16)11-23-17(8-9-21-23)22-18(24)12-25-15-6-3-5-14(20)10-15/h1-10H,11-12H2,(H,22,24).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide has a molecular weight of 467.69 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide is sourced from PubChem (CID 36562769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).