(2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide

C20H23F3N2O2 — CID 58834431

IUPAC(2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide
SMILESCC(C)[C@H](CNC(=O)[C@@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2/c1-13(2)17(25-16-10-8-15(9-11-16)20(21,22)23)12-24-19(27)18(26)14-6-4-3-5-7-14/h3-11,13,17-18,25-26H,12H2,1-2H3,(H,24,27)/t17-,18-/m0/s1
InChIKeyPLKMQSSONWTZQB-ROUUACIJSA-N
MW380.41 g/mol
LogP3.99
Rot. Bonds7

About (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide

(2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide (PubChem CID 58834431) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide
PubChem CID58834431
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name(2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide
SMILESCC(C)[C@H](CNC(=O)[C@@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2/c1-13(2)17(25-16-10-8-15(9-11-16)20(21,22)23)12-24-19(27)18(26)14-6-4-3-5-7-14/h3-11,13,17-18,25-26H,12H2,1-2H3,(H,24,27)/t17-,18-/m0/s1
InChIKeyPLKMQSSONWTZQB-ROUUACIJSA-N
XLogP3.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(alphaS)-N-((1S)-2-(((7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz(b,d)azepin-7-yl)amino)-1-methyl-2-oxoethyl)-3,5-difluoro-alpha-hydroxybenzeneacetamide
CID 10435235
Mandelanilide
CID 346169
2-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 11091850
N-[1-(4-Amino-benzyl)-piperidin-4-yl]-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10646906
N-[1-(4-Amino-3-fluoro-benzyl)-piperidin-4-yl]-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10647703
Mirabegron (m5)
CID 90376256
(R)-N-(3-Aminomethyl-phenyl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 44308818
(R)-N-(4-Aminomethyl-phenyl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 44309107
N-[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-2-hydroxy-2-phenyl-acetamide
CID 44360121
6-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
CID 44522799
(3R)-3-amino-1-[4-[4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70686720
LY-411575 (isomer 3)
CID 78357871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide (CID 58834431) is (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide is CC(C)[C@H](CNC(=O)[C@@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide?
The InChIKey is PLKMQSSONWTZQB-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-13(2)17(25-16-10-8-15(9-11-16)20(21,22)23)12-24-19(27)18(26)14-6-4-3-5-7-14/h3-11,13,17-18,25-26H,12H2,1-2H3,(H,24,27)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide?
(2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide has a molecular weight of 380.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]-2-phenylacetamide is sourced from PubChem (CID 58834431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).