(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

C25H24ClF3N2O — CID 59553802

IUPAC(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClF3N2O/c1-30-24(32)23(18-7-3-2-4-8-18)31-22(20-9-5-6-10-21(20)26)16-13-17-11-14-19(15-12-17)25(27,28)29/h2-12,14-15,22-23,31H,13,16H2,1H3,(H,30,32)/t22-,23-/m1/s1
InChIKeyIUVMQBHCPUCPSV-DHIUTWEWSA-N
MW460.93 g/mol
LogP6.11
Rot. Bonds8

About (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 59553802) has the molecular formula C25H24ClF3N2O and a molecular weight of 460.93 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID59553802
Molecular FormulaC25H24ClF3N2O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC Name(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClF3N2O/c1-30-24(32)23(18-7-3-2-4-8-18)31-22(20-9-5-6-10-21(20)26)16-13-17-11-14-19(15-12-17)25(27,28)29/h2-12,14-15,22-23,31H,13,16H2,1H3,(H,30,32)/t22-,23-/m1/s1
InChIKeyIUVMQBHCPUCPSV-DHIUTWEWSA-N
XLogP6.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68763476
(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769293
(2R)-2-[[(1R)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766674
(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769278
(2R)-2-[[1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 162541004
2-[[(1S)-1-(3-chloro-4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68767356
2-[[(1S)-1-(6-chloro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 87566254
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 68768293
(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
CID 59553811
(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide
CID 68767800
(2S)-2-[[(1S)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 90804133
(2S)-2-[[(1R)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 90781931

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 59553802) is (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is IUVMQBHCPUCPSV-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H24ClF3N2O/c1-30-24(32)23(18-7-3-2-4-8-18)31-22(20-9-5-6-10-21(20)26)16-13-17-11-14-19(15-12-17)25(27,28)29/h2-12,14-15,22-23,31H,13,16H2,1H3,(H,30,32)/t22-,23-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 460.93 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 59553802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).