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

C19H14ClF3N2O2 — CID 7715483

IUPAC(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1
InChIInChI=1S/C19H14ClF3N2O2/c1-10-15(17(26)11-5-7-14(20)8-6-11)16(25-18(27)24-10)12-3-2-4-13(9-12)19(21,22)23/h2-9,16H,1H3,(H2,24,25,27)/t16-/m0/s1
InChIKeyIASKZDIUWFCWHP-INIZCTEOSA-N
MW394.78 g/mol
LogP4.87
Rot. Bonds3

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

(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7715483) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7715483
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC Name(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1
InChIInChI=1S/C19H14ClF3N2O2/c1-10-15(17(26)11-5-7-14(20)8-6-11)16(25-18(27)24-10)12-3-2-4-13(9-12)19(21,22)23/h2-9,16H,1H3,(H2,24,25,27)/t16-/m0/s1
InChIKeyIASKZDIUWFCWHP-INIZCTEOSA-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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Related Compounds

(4S)-4-(4-tert-butylphenyl)-5-(4-chlorobenzoyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7870441
(4R)-5-benzoyl-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 7720649
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(4S)-4-(1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858271
(4R)-5-benzoyl-6-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7817242
(4R)-5-(4-chlorobenzoyl)-4-(2-chloro-6-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7733563
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
2-methylsulfanylethyl (4S)-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7112452
(4R)-5-(4-chlorobenzoyl)-6-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7870448
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858259
(4S)-4-(3-fluorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7860298
5-(4-chlorobenzoyl)-4-[4-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 3928414

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 7715483) is (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1.
What is the InChIKey of (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is IASKZDIUWFCWHP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c1-10-15(17(26)11-5-7-14(20)8-6-11)16(25-18(27)24-10)12-3-2-4-13(9-12)19(21,22)23/h2-9,16H,1H3,(H2,24,25,27)/t16-/m0/s1.
What are the key properties of (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(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 (4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7715483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).