2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide

C18H13ClIN3O2 — CID 92648884

IUPAC2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H13ClIN3O2/c19-13-3-1-11(2-4-13)17-21-10-12(18(25)23-17)9-16(24)22-15-7-5-14(20)6-8-15/h1-8,10H,9H2,(H,22,24)(H,21,23,25)
InChIKeyRVZLJLXSDDHDRO-UHFFFAOYSA-N
MW465.68 g/mol
LogP3.88
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide (PubChem CID 92648884) has the molecular formula C18H13ClIN3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide
PubChem CID92648884
Molecular FormulaC18H13ClIN3O2
Molecular Weight465.68 g/mol
Exact Mass464.97
IUPAC Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H13ClIN3O2/c19-13-3-1-11(2-4-13)17-21-10-12(18(25)23-17)9-16(24)22-15-7-5-14(20)6-8-15/h1-8,10H,9H2,(H,22,24)(H,21,23,25)
InChIKeyRVZLJLXSDDHDRO-UHFFFAOYSA-N
XLogP3.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.68
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 92648916
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
CID 92648967
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide
CID 92648829
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
CID 92648971
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92648857
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92648982
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649000
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648935
2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786319
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide (CID 92648884) is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide is O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is RVZLJLXSDDHDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClIN3O2/c19-13-3-1-11(2-4-13)17-21-10-12(18(25)23-17)9-16(24)22-15-7-5-14(20)6-8-15/h1-8,10H,9H2,(H,22,24)(H,21,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide?
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 465.68 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 92648884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).