2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride

C13H16ClF3N2O2 — CID 120786077

IUPAC2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cc(F)c(F)cc1F)C1CCOCC1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-8-5-10(16)11(6-9(8)15)18-13(19)12(17)7-1-3-20-4-2-7;/h5-7,12H,1-4,17H2,(H,18,19);1H
InChIKeyDQOHCEYOYHSROS-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride (PubChem CID 120786077) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride
PubChem CID120786077
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cc(F)c(F)cc1F)C1CCOCC1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-8-5-10(16)11(6-9(8)15)18-13(19)12(17)7-1-3-20-4-2-7;/h5-7,12H,1-4,17H2,(H,18,19);1H
InChIKeyDQOHCEYOYHSROS-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-N-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783512
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120790634
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785843
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785959
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride (CID 120786077) is 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1cc(F)c(F)cc1F)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride?
The InChIKey is DQOHCEYOYHSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c14-8-5-10(16)11(6-9(8)15)18-13(19)12(17)7-1-3-20-4-2-7;/h5-7,12H,1-4,17H2,(H,18,19);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120786077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).