3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide

C18H19F3N2O2 — CID 119951094

IUPAC3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
SMILESNC(CC(=O)NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)17(25,14-9-5-2-6-10-14)12-23-16(24)11-15(22)13-7-3-1-4-8-13/h1-10,15,25H,11-12,22H2,(H,23,24)
InChIKeyZGOLTVHCTKOXFZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.64
Rot. Bonds6

About 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide

3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide (PubChem CID 119951094) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
PubChem CID119951094
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
SMILESNC(CC(=O)NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)17(25,14-9-5-2-6-10-14)12-23-16(24)11-15(22)13-7-3-1-4-8-13/h1-10,15,25H,11-12,22H2,(H,23,24)
InChIKeyZGOLTVHCTKOXFZ-UHFFFAOYSA-N
XLogP2.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653
(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
CID 119769269
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
CID 119769296
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032
2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781980
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide (CID 119951094) is 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide is NC(CC(=O)NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide?
The InChIKey is ZGOLTVHCTKOXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)17(25,14-9-5-2-6-10-14)12-23-16(24)11-15(22)13-7-3-1-4-8-13/h1-10,15,25H,11-12,22H2,(H,23,24).
What are the key properties of 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide?
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide has a molecular weight of 352.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide is sourced from PubChem (CID 119951094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).