N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide

C12H8Cl2IN3O — CID 89178764

IUPACN-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide
SMILESO=C(Cc1cccc(I)c1)Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C12H8Cl2IN3O/c13-11-10(12(14)17-6-16-11)18-9(19)5-7-2-1-3-8(15)4-7/h1-4,6H,5H2,(H,18,19)
InChIKeyFTLDFSRISADYQR-UHFFFAOYSA-N
MW408.03 g/mol
LogP3.57
Rot. Bonds3

About N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide

N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide (PubChem CID 89178764) has the molecular formula C12H8Cl2IN3O and a molecular weight of 408.03 g/mol. Its IUPAC name is N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide.

Molecular Properties

Compound NameN-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide
PubChem CID89178764
Molecular FormulaC12H8Cl2IN3O
Molecular Weight408.03 g/mol
Exact Mass406.91
IUPAC NameN-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide
SMILESO=C(Cc1cccc(I)c1)Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C12H8Cl2IN3O/c13-11-10(12(14)17-6-16-11)18-9(19)5-7-2-1-3-8(15)4-7/h1-4,6H,5H2,(H,18,19)
InChIKeyFTLDFSRISADYQR-UHFFFAOYSA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.03
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodophenyl)-N-methylacetamide
CID 130614224
2-(3-hydroxyphenyl)-N-(5-iodo-2-pyridinyl)acetamide
CID 65099226
3-(3-iodophenyl)-2-oxopropanoic acid
CID 127018945
2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide
CID 54585084
N-(2-chloro-5-iodophenyl)-2-(3-fluorophenyl)acetamide
CID 113255381
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769
2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
CID 120830379
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
2-(3-chlorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 60615735
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-chlorophenyl)acetamide
CID 103745271

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide?
The IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide (CID 89178764) is N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide.
What is the SMILES notation for N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide?
The canonical SMILES for N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide is O=C(Cc1cccc(I)c1)Nc1c(Cl)ncnc1Cl.
What is the InChIKey of N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide?
The InChIKey is FTLDFSRISADYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2IN3O/c13-11-10(12(14)17-6-16-11)18-9(19)5-7-2-1-3-8(15)4-7/h1-4,6H,5H2,(H,18,19).
What are the key properties of N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide?
N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide has a molecular weight of 408.03 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide is sourced from PubChem (CID 89178764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).