4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C15H18F5N3O3 — CID 166734854

IUPAC4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESNC(Cc1ccccc1)C(=O)NCC(O)C(F)(F)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H18F5N3O3/c16-14(17,18)8-23-13(26)15(19,20)11(24)7-22-12(25)10(21)6-9-4-2-1-3-5-9/h1-5,10-11,24H,6-8,21H2,(H,22,25)(H,23,26)
InChIKeyYFOZGVQPUZVFGB-UHFFFAOYSA-N
MW383.32 g/mol
LogP0.35
Rot. Bonds8

About 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 166734854) has the molecular formula C15H18F5N3O3 and a molecular weight of 383.32 g/mol. Its IUPAC name is 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID166734854
Molecular FormulaC15H18F5N3O3
Molecular Weight383.32 g/mol
Exact Mass383.13
IUPAC Name4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESNC(Cc1ccccc1)C(=O)NCC(O)C(F)(F)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H18F5N3O3/c16-14(17,18)8-23-13(26)15(19,20)11(24)7-22-12(25)10(21)6-9-4-2-1-3-5-9/h1-5,10-11,24H,6-8,21H2,(H,22,25)(H,23,26)
InChIKeyYFOZGVQPUZVFGB-UHFFFAOYSA-N
XLogP0.35
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide with MolForge

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Related Compounds

(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
CID 103796488
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
4-[(2-amino-2-phenylacetyl)amino]-2,2-difluoro-3-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride
CID 137364930
4-[[2-[[2-amino-3-(3-chlorophenyl)propanoyl]amino]-2-phenylacetyl]amino]-2,2-difluoro-3-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 137364826

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 166734854) is 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is NC(Cc1ccccc1)C(=O)NCC(O)C(F)(F)C(=O)NCC(F)(F)F.
What is the InChIKey of 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YFOZGVQPUZVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5N3O3/c16-14(17,18)8-23-13(26)15(19,20)11(24)7-22-12(25)10(21)6-9-4-2-1-3-5-9/h1-5,10-11,24H,6-8,21H2,(H,22,25)(H,23,26).
What are the key properties of 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 383.32 g/mol, XLogP of 0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 166734854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).