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

C25H24F4N2O — CID 68769293

IUPAC(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1F)c1ccccc1
InChIInChI=1S/C25H24F4N2O/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-/m0/s1
InChIKeyBAMBVKTVPZOSKQ-GOTSBHOMSA-N
MW444.47 g/mol
LogP5.60
Rot. Bonds8

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

(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 68769293) has the molecular formula C25H24F4N2O and a molecular weight of 444.47 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID68769293
Molecular FormulaC25H24F4N2O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC Name(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1F)c1ccccc1
InChIInChI=1S/C25H24F4N2O/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-/m0/s1
InChIKeyBAMBVKTVPZOSKQ-GOTSBHOMSA-N
XLogP5.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.47
LogP ≤ 55.60
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
(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553802
(1R)-1-N-[(1R)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-N-methyl-1-phenylprop-2-ene-1,2-diamine
CID 70294157
(2R)-2-[[(1R)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766674
2-[[(1S)-1-(3-chloro-4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68767356
(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
(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide
CID 68767800
2-[[(1S)-1-(6-chloro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 87566254
(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
CID 59553811
(2R)-2-[[(1R)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553827
(2S)-2-[[(1S)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 90804133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 68769293) is (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](N[C@@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1F)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is BAMBVKTVPZOSKQ-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H24F4N2O/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-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 444.47 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 68769293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).