N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide

C12H10IN3O2 — CID 66320025

IUPACN-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ncncc1I
InChIInChI=1S/C12H10IN3O2/c1-8(17)16-10-4-2-3-5-11(10)18-12-9(13)6-14-7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyXWZNIEWCBLCWHX-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.83
Rot. Bonds3

About N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide

N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 66320025) has the molecular formula C12H10IN3O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID66320025
Molecular FormulaC12H10IN3O2
Molecular Weight355.14 g/mol
Exact Mass354.98
IUPAC NameN-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ncncc1I
InChIInChI=1S/C12H10IN3O2/c1-8(17)16-10-4-2-3-5-11(10)18-12-9(13)6-14-7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyXWZNIEWCBLCWHX-UHFFFAOYSA-N
XLogP2.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-aminopyrimidin-4-yl)oxyphenyl]acetamide
CID 79917590
N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide
CID 80882186
(2-acetamidophenyl) hypochlorite
CID 150463309
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145
N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 16789726
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289
N-[2-[(5-amino-4-methyl-2-pyridinyl)oxy]phenyl]acetamide
CID 79175977
N-[2-[(3-sulfamoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 115928437
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
2-(2-acetamidophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83178889
6-(2-acetamidophenoxy)-5-aminopyridine-2-carboxylic acid
CID 114408530

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide (CID 66320025) is N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide is CC(=O)Nc1ccccc1Oc1ncncc1I.
What is the InChIKey of N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is XWZNIEWCBLCWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O2/c1-8(17)16-10-4-2-3-5-11(10)18-12-9(13)6-14-7-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide?
N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 355.14 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-iodopyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 66320025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).