2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide

C12H8ClFIN3O2 — CID 114584066

IUPAC2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(I)c1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H8ClFIN3O2/c13-11-10(15)12(20)18(6-16-11)5-9(19)17-8-3-1-2-7(14)4-8/h1-4,6H,5H2,(H,17,19)
InChIKeyLEPMGYGELAUNND-UHFFFAOYSA-N
MW407.57 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide

2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 114584066) has the molecular formula C12H8ClFIN3O2 and a molecular weight of 407.57 g/mol. Its IUPAC name is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
PubChem CID114584066
Molecular FormulaC12H8ClFIN3O2
Molecular Weight407.57 g/mol
Exact Mass406.93
IUPAC Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(I)c1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H8ClFIN3O2/c13-11-10(15)12(20)18(6-16-11)5-9(19)17-8-3-1-2-7(14)4-8/h1-4,6H,5H2,(H,17,19)
InChIKeyLEPMGYGELAUNND-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 52.28
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-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 114584162
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-fluorophenyl)acetamide
CID 7118527
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 114583395
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
2-[3-[(3,5-difluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide
CID 45030260
N-(3-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800523
2-[3-(3,5-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide
CID 7476478
N-(3-fluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956825
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(3-fluorophenyl)acetamide
CID 26579576

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide (CID 114584066) is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide is O=C(Cn1cnc(Cl)c(I)c1=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is LEPMGYGELAUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFIN3O2/c13-11-10(15)12(20)18(6-16-11)5-9(19)17-8-3-1-2-7(14)4-8/h1-4,6H,5H2,(H,17,19).
What are the key properties of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 407.57 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 114584066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).