N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide

C25H25ClF3N3O2 — CID 24872265

IUPACN-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide
SMILESC[C@H](NC(=O)C(C)(C)Oc1nccc(C(F)(F)F)n1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H25ClF3N3O2/c1-16(20(18-7-5-4-6-8-18)15-17-9-11-19(26)12-10-17)31-22(33)24(2,3)34-23-30-14-13-21(32-23)25(27,28)29/h4-14,16,20H,15H2,1-3H3,(H,31,33)/t16-,20+/m0/s1
InChIKeyVGXVGVLUSMHCIK-OXJNMPFZSA-N
MW491.94 g/mol
LogP5.84
Rot. Bonds8

About N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide

N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide (PubChem CID 24872265) has the molecular formula C25H25ClF3N3O2 and a molecular weight of 491.94 g/mol. Its IUPAC name is N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide.

Molecular Properties

Compound NameN-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide
PubChem CID24872265
Molecular FormulaC25H25ClF3N3O2
Molecular Weight491.94 g/mol
Exact Mass491.16
IUPAC NameN-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide
SMILESC[C@H](NC(=O)C(C)(C)Oc1nccc(C(F)(F)F)n1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H25ClF3N3O2/c1-16(20(18-7-5-4-6-8-18)15-17-9-11-19(26)12-10-17)31-22(33)24(2,3)34-23-30-14-13-21(32-23)25(27,28)29/h4-14,16,20H,15H2,1-3H3,(H,31,33)/t16-,20+/m0/s1
InChIKeyVGXVGVLUSMHCIK-OXJNMPFZSA-N
XLogP5.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.94
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide?
The IUPAC name of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide (CID 24872265) is N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide.
What is the SMILES notation for N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide?
The canonical SMILES for N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide is C[C@H](NC(=O)C(C)(C)Oc1nccc(C(F)(F)F)n1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide?
The InChIKey is VGXVGVLUSMHCIK-OXJNMPFZSA-N. The full InChI is InChI=1S/C25H25ClF3N3O2/c1-16(20(18-7-5-4-6-8-18)15-17-9-11-19(26)12-10-17)31-22(33)24(2,3)34-23-30-14-13-21(32-23)25(27,28)29/h4-14,16,20H,15H2,1-3H3,(H,31,33)/t16-,20+/m0/s1.
What are the key properties of N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide?
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide has a molecular weight of 491.94 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide is sourced from PubChem (CID 24872265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).