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

C23H20F3N3O2 — CID 118247029

IUPAC2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1N
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)17-10-6-7-15(13-17)14-29(22(31)18-11-4-5-12-19(18)27)20(21(28)30)16-8-2-1-3-9-16/h1-13,20H,14,27H2,(H2,28,30)/t20-/m1/s1
InChIKeyGOIGFSFFCGMLJE-HXUWFJFHSA-N
MW427.43 g/mol
LogP4.16
Rot. Bonds6

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

2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 118247029) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID118247029
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1N
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)17-10-6-7-15(13-17)14-29(22(31)18-11-4-5-12-19(18)27)20(21(28)30)16-8-2-1-3-9-16/h1-13,20H,14,27H2,(H2,28,30)/t20-/m1/s1
InChIKeyGOIGFSFFCGMLJE-HXUWFJFHSA-N
XLogP4.16
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 15649435
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CID 2797236
(S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
CID 2817619
Cyclopeptine
CID 179574
2-amino-N-[2-[[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 25022597
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922
(S)-(-)-2 (n-Benzylpropyl) aminobenzphenone
CID 980835
R116031
CID 9917716
(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 1502067
2-amino-N-[2-[[(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 44453440
3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-fluorophenyl)-N-[(3R)-2-oxoazepan-3-yl]benzamide
CID 71450941
N-(2-benzoylphenyl)-2-pyrrolidin-1-ylacetamide
CID 2462370

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 118247029) is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is GOIGFSFFCGMLJE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)17-10-6-7-15(13-17)14-29(22(31)18-11-4-5-12-19(18)27)20(21(28)30)16-8-2-1-3-9-16/h1-13,20H,14,27H2,(H2,28,30)/t20-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 427.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 118247029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).