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

C12H10FIN4O2 — CID 66308622

IUPACN-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNc1cc(NC(=O)Cn2cncc(I)c2=O)ccc1F
InChIInChI=1S/C12H10FIN4O2/c13-8-2-1-7(3-10(8)15)17-11(19)5-18-6-16-4-9(14)12(18)20/h1-4,6H,5,15H2,(H,17,19)
InChIKeyOEXIOTNITHJXIB-UHFFFAOYSA-N
MW388.14 g/mol
LogP1.21
Rot. Bonds3

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

N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66308622) has the molecular formula C12H10FIN4O2 and a molecular weight of 388.14 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66308622
Molecular FormulaC12H10FIN4O2
Molecular Weight388.14 g/mol
Exact Mass387.98
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNc1cc(NC(=O)Cn2cncc(I)c2=O)ccc1F
InChIInChI=1S/C12H10FIN4O2/c13-8-2-1-7(3-10(8)15)17-11(19)5-18-6-16-4-9(14)12(18)20/h1-4,6H,5,15H2,(H,17,19)
InChIKeyOEXIOTNITHJXIB-UHFFFAOYSA-N
XLogP1.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.14
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308829
N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide
CID 62880823
N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309265
N-(3-amino-4-fluorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62492016
N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 55237811
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
N-(3-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384600
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
N-(3-amino-4-fluorophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770467
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114584066
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81097272

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66308622) is N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is Nc1cc(NC(=O)Cn2cncc(I)c2=O)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is OEXIOTNITHJXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN4O2/c13-8-2-1-7(3-10(8)15)17-11(19)5-18-6-16-4-9(14)12(18)20/h1-4,6H,5,15H2,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 388.14 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66308622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).