N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride

C16H24ClF3N2O — CID 119607171

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CC(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-11(2)15(3,10-20)21-14(22)9-13(16(17,18)19)12-7-5-4-6-8-12;/h4-8,11,13H,9-10,20H2,1-3H3,(H,21,22);1H
InChIKeyWIUBKTFNKKUPTR-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.63
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride (PubChem CID 119607171) has the molecular formula C16H24ClF3N2O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
PubChem CID119607171
Molecular FormulaC16H24ClF3N2O
Molecular Weight352.83 g/mol
Exact Mass352.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CC(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-11(2)15(3,10-20)21-14(22)9-13(16(17,18)19)12-7-5-4-6-8-12;/h4-8,11,13H,9-10,20H2,1-3H3,(H,21,22);1H
InChIKeyWIUBKTFNKKUPTR-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride (CID 119607171) is N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CC(c1ccccc1)C(F)(F)F.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
The InChIKey is WIUBKTFNKKUPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.ClH/c1-11(2)15(3,10-20)21-14(22)9-13(16(17,18)19)12-7-5-4-6-8-12;/h4-8,11,13H,9-10,20H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119607171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).