6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one

C19H14ClFN2O2 — CID 160786073

IUPAC6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(Cl)cc1CC(=O)c1cc(-c2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C19H14ClFN2O2/c1-11-2-5-14(20)8-13(11)9-18(24)17-10-16(22-19(25)23-17)12-3-6-15(21)7-4-12/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeySBFLGALZHGRKHL-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.96
Rot. Bonds4

About 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one

6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one (PubChem CID 160786073) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one
PubChem CID160786073
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Name6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(Cl)cc1CC(=O)c1cc(-c2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C19H14ClFN2O2/c1-11-2-5-14(20)8-13(11)9-18(24)17-10-16(22-19(25)23-17)12-3-6-15(21)7-4-12/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeySBFLGALZHGRKHL-UHFFFAOYSA-N
XLogP3.96
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one (CID 160786073) is 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one is Cc1ccc(Cl)cc1CC(=O)c1cc(-c2ccc(F)cc2)nc(=O)[nH]1.
What is the InChIKey of 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The InChIKey is SBFLGALZHGRKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c1-11-2-5-14(20)8-13(11)9-18(24)17-10-16(22-19(25)23-17)12-3-6-15(21)7-4-12/h2-8,10H,9H2,1H3,(H,22,23,25).
What are the key properties of 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one has a molecular weight of 356.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 160786073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).