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

C23H19F3N2O2 — CID 118246686

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)19-14-8-7-13-18(19)15-28(22(30)17-11-5-2-6-12-17)20(21(27)29)16-9-3-1-4-10-16/h1-14,20H,15H2,(H2,27,29)/t20-/m1/s1
InChIKeyRXBFQUPXNQNSAQ-HXUWFJFHSA-N
MW412.41 g/mol
LogP4.57
Rot. Bonds6

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

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 118246686) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID118246686
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)19-14-8-7-13-18(19)15-28(22(30)17-11-5-2-6-12-17)20(21(27)29)16-9-3-1-4-10-16/h1-14,20H,15H2,(H2,27,29)/t20-/m1/s1
InChIKeyRXBFQUPXNQNSAQ-HXUWFJFHSA-N
XLogP4.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 118246686) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is RXBFQUPXNQNSAQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c24-23(25,26)19-14-8-7-13-18(19)15-28(22(30)17-11-5-2-6-12-17)20(21(27)29)16-9-3-1-4-10-16/h1-14,20H,15H2,(H2,27,29)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 412.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 118246686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).