2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride

C11H14ClF3N2O2 — CID 119315270

IUPAC2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
SMILESCl.NCC(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)10(18,7-16-9(17)6-15)8-4-2-1-3-5-8;/h1-5,18H,6-7,15H2,(H,16,17);1H
InChIKeyKGNQTBLTLBJNNC-UHFFFAOYSA-N
MW298.69 g/mol
LogP0.93
Rot. Bonds4

About 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride

2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride (PubChem CID 119315270) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
PubChem CID119315270
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
SMILESCl.NCC(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)10(18,7-16-9(17)6-15)8-4-2-1-3-5-8;/h1-5,18H,6-7,15H2,(H,16,17);1H
InChIKeyKGNQTBLTLBJNNC-UHFFFAOYSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968
3-(benzenesulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781987
(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
CID 119769269
3-(benzenesulfonyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
CID 95376514
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781980
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119769273
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
2-(2-methoxyethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 119769290
2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
CID 119769283

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride (CID 119315270) is 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride is Cl.NCC(=O)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
The InChIKey is KGNQTBLTLBJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)10(18,7-16-9(17)6-15)8-4-2-1-3-5-8;/h1-5,18H,6-7,15H2,(H,16,17);1H.
What are the key properties of 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119315270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).