5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one

C19H14ClF3N2O2 — CID 3687894

IUPAC5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1
InChIInChI=1S/C19H14ClF3N2O2/c1-10-15(17(26)12-4-8-14(20)9-5-12)16(25-18(27)24-10)11-2-6-13(7-3-11)19(21,22)23/h2-9,16H,1H3,(H2,24,25,27)
InChIKeyUVAGUDAADROPTG-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.87
Rot. Bonds3

About 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one

5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 3687894) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID3687894
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC Name5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1
InChIInChI=1S/C19H14ClF3N2O2/c1-10-15(17(26)12-4-8-14(20)9-5-12)16(25-18(27)24-10)11-2-6-13(7-3-11)19(21,22)23/h2-9,16H,1H3,(H2,24,25,27)
InChIKeyUVAGUDAADROPTG-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 3687894) is 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1.
What is the InChIKey of 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is UVAGUDAADROPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c1-10-15(17(26)12-4-8-14(20)9-5-12)16(25-18(27)24-10)11-2-6-13(7-3-11)19(21,22)23/h2-9,16H,1H3,(H2,24,25,27).
What are the key properties of 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 394.78 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 3687894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).