N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide

C13H11FIN3O2 — CID 66340046

IUPACN-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C13H11FIN3O2/c1-8-16-6-10(15)13(20)18(8)7-12(19)17-11-5-3-2-4-9(11)14/h2-6H,7H2,1H3,(H,17,19)
InChIKeyZUXSKKDDZMFGPY-UHFFFAOYSA-N
MW387.15 g/mol
LogP1.93
Rot. Bonds3

About N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide

N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66340046) has the molecular formula C13H11FIN3O2 and a molecular weight of 387.15 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66340046
Molecular FormulaC13H11FIN3O2
Molecular Weight387.15 g/mol
Exact Mass386.99
IUPAC NameN-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C13H11FIN3O2/c1-8-16-6-10(15)13(20)18(8)7-12(19)17-11-5-3-2-4-9(11)14/h2-6H,7H2,1H3,(H,17,19)
InChIKeyZUXSKKDDZMFGPY-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 51.93
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-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66342718
N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide
CID 53040078
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342714
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 66339829
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341152
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 82099362
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340710
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 41233349

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66340046) is N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncc(I)c(=O)n1CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZUXSKKDDZMFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN3O2/c1-8-16-6-10(15)13(20)18(8)7-12(19)17-11-5-3-2-4-9(11)14/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 387.15 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66340046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).