N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide

C24H24ClF4N3O2 — CID 118039171

About N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide

N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 118039171) has the molecular formula C24H24ClF4N3O2 and a molecular weight of 497.92 g/mol. Its IUPAC name is N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
• PubChem CID: 118039171
• Molecular Formula: C24H24ClF4N3O2
• Molecular Weight: 497.92 g/mol
• Exact Mass: 497.15
• IUPAC Name: N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
• SMILES: CC1=C(c2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)NC(=O)NC1c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C24H24ClF4N3O2/c1-12-19(13-5-8-15(9-6-13)24(27,28)29)31-22(34)32-20(12)17-16(25)10-7-14(18(17)26)11-30-21(33)23(2,3)4/h5-10,19H,11H2,1-4H3,(H,30,33)(H2,31,32,34)
• InChIKey: VGKWKIHRTCTBAE-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.92
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide (CID 118039171) is N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide is CC1=C(c2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)NC(=O)NC1c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?

The InChIKey is VGKWKIHRTCTBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF4N3O2/c1-12-19(13-5-8-15(9-6-13)24(27,28)29)31-22(34)32-20(12)17-16(25)10-7-14(18(17)26)11-30-21(33)23(2,3)4/h5-10,19H,11H2,1-4H3,(H,30,33)(H2,31,32,34).

What are the key properties of N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide?

N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 497.92 g/mol, XLogP of 5.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118039171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).