N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C23H19F3N2O3 — CID 118246912

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1O
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)17-10-6-7-15(13-17)14-28(22(31)18-11-4-5-12-19(18)29)20(21(27)30)16-8-2-1-3-9-16/h1-13,20,29H,14H2,(H2,27,30)/t20-/m1/s1
InChIKeyNOQAXONNEWPRIU-HXUWFJFHSA-N
MW428.41 g/mol
LogP4.28
Rot. Bonds6

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 118246912) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID118246912
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1O
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)17-10-6-7-15(13-17)14-28(22(31)18-11-4-5-12-19(18)29)20(21(27)30)16-8-2-1-3-9-16/h1-13,20,29H,14H2,(H2,27,30)/t20-/m1/s1
InChIKeyNOQAXONNEWPRIU-HXUWFJFHSA-N
XLogP4.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;benzene
CID 144888100
N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 118246904
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 118246886
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 118246688
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 118935290
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 118247039
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 118246798
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 118246912) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1O.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is NOQAXONNEWPRIU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)17-10-6-7-15(13-17)14-28(22(31)18-11-4-5-12-19(18)29)20(21(27)30)16-8-2-1-3-9-16/h1-13,20,29H,14H2,(H2,27,30)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 118246912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).