2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

C18H19F3N2O — CID 175361749

IUPAC2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESNC(Cc1ccccc1)(Cc1ccccc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)13-23-16(24)17(22,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13,22H2,(H,23,24)
InChIKeyRCOPMMQTBYHTBA-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.85
Rot. Bonds6

About 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 175361749) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID175361749
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESNC(Cc1ccccc1)(Cc1ccccc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)13-23-16(24)17(22,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13,22H2,(H,23,24)
InChIKeyRCOPMMQTBYHTBA-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 166734854
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
(E)-3-amino-2-phenylmethoxy-N-(2,2,2-trifluoroethyl)prop-2-enamide;ethane
CID 178136584
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (CID 175361749) is 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is NC(Cc1ccccc1)(Cc1ccccc1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RCOPMMQTBYHTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)13-23-16(24)17(22,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13,22H2,(H,23,24).
What are the key properties of 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 336.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-benzyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 175361749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).