N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

C19H22BrFN4O2 — CID 91904005

IUPACN-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1nc(N2CCCCC2)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1C
InChIInChI=1S/C19H22BrFN4O2/c1-12-13(2)22-19(24-8-4-3-5-9-24)25(18(12)27)11-17(26)23-16-7-6-14(20)10-15(16)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,23,26)
InChIKeyUCNNWJIDVMCYHC-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.39
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (PubChem CID 91904005) has the molecular formula C19H22BrFN4O2 and a molecular weight of 437.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
PubChem CID91904005
Molecular FormulaC19H22BrFN4O2
Molecular Weight437.31 g/mol
Exact Mass436.09
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1nc(N2CCCCC2)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1C
InChIInChI=1S/C19H22BrFN4O2/c1-12-13(2)22-19(24-8-4-3-5-9-24)25(18(12)27)11-17(26)23-16-7-6-14(20)10-15(16)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,23,26)
InChIKeyUCNNWJIDVMCYHC-UHFFFAOYSA-N
XLogP3.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (CID 91904005) is N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is Cc1nc(N2CCCCC2)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1C.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The InChIKey is UCNNWJIDVMCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN4O2/c1-12-13(2)22-19(24-8-4-3-5-9-24)25(18(12)27)11-17(26)23-16-7-6-14(20)10-15(16)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,23,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide has a molecular weight of 437.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 91904005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).