N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride

C16H25ClF2N2O2 — CID 119605711

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCCOc1ccc(F)cc1F.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-11(2)16(3,10-19)20-15(21)5-4-8-22-14-7-6-12(17)9-13(14)18;/h6-7,9,11H,4-5,8,10,19H2,1-3H3,(H,20,21);1H
InChIKeyGPHRWDZQPJJNBO-UHFFFAOYSA-N
MW350.84 g/mol
LogP3.04
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride (PubChem CID 119605711) has the molecular formula C16H25ClF2N2O2 and a molecular weight of 350.84 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
PubChem CID119605711
Molecular FormulaC16H25ClF2N2O2
Molecular Weight350.84 g/mol
Exact Mass350.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCCOc1ccc(F)cc1F.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-11(2)16(3,10-19)20-15(21)5-4-8-22-14-7-6-12(17)9-13(14)18;/h6-7,9,11H,4-5,8,10,19H2,1-3H3,(H,20,21);1H
InChIKeyGPHRWDZQPJJNBO-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;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-(2,4-difluorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride (CID 119605711) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CCCOc1ccc(F)cc1F.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride?
The InChIKey is GPHRWDZQPJJNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2.ClH/c1-11(2)16(3,10-19)20-15(21)5-4-8-22-14-7-6-12(17)9-13(14)18;/h6-7,9,11H,4-5,8,10,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119605711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).