(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

C26H26ClF3N2O — CID 69042344

IUPAC(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1ccc(C)c(Cl)c1)c1ccccc1
InChIInChI=1S/C26H26ClF3N2O/c1-17-8-9-20(16-23(17)27)22(18-10-12-21(13-11-18)26(28,29)30)14-15-32-24(25(33)31-2)19-6-4-3-5-7-19/h3-13,16,22,24,32H,14-15H2,1-2H3,(H,31,33)/t22-,24-/m1/s1
InChIKeyOFTYSYRTSKRIAA-ISKFKSNPSA-N
MW474.95 g/mol
LogP6.27
Rot. Bonds8

About (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 69042344) has the molecular formula C26H26ClF3N2O and a molecular weight of 474.95 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID69042344
Molecular FormulaC26H26ClF3N2O
Molecular Weight474.95 g/mol
Exact Mass474.17
IUPAC Name(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1ccc(C)c(Cl)c1)c1ccccc1
InChIInChI=1S/C26H26ClF3N2O/c1-17-8-9-20(16-23(17)27)22(18-10-12-21(13-11-18)26(28,29)30)14-15-32-24(25(33)31-2)19-6-4-3-5-7-19/h3-13,16,22,24,32H,14-15H2,1-2H3,(H,31,33)/t22-,24-/m1/s1
InChIKeyOFTYSYRTSKRIAA-ISKFKSNPSA-N
XLogP6.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 69042344) is (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1ccc(C)c(Cl)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is OFTYSYRTSKRIAA-ISKFKSNPSA-N. The full InChI is InChI=1S/C26H26ClF3N2O/c1-17-8-9-20(16-23(17)27)22(18-10-12-21(13-11-18)26(28,29)30)14-15-32-24(25(33)31-2)19-6-4-3-5-7-19/h3-13,16,22,24,32H,14-15H2,1-2H3,(H,31,33)/t22-,24-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 474.95 g/mol, XLogP of 6.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69042344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).