N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride

C19H26ClFN2O2 — CID 119607048

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C19H25FN2O2.ClH/c1-13(2)19(3,12-21)22-18(23)11-9-14-8-10-17(24-14)15-6-4-5-7-16(15)20;/h4-8,10,13H,9,11-12,21H2,1-3H3,(H,22,23);1H
InChIKeyVJDQEXVTAFIWMW-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.93
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride (PubChem CID 119607048) has the molecular formula C19H26ClFN2O2 and a molecular weight of 368.88 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride
PubChem CID119607048
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C19H25FN2O2.ClH/c1-13(2)19(3,12-21)22-18(23)11-9-14-8-10-17(24-14)15-6-4-5-7-16(15)20;/h4-8,10,13H,9,11-12,21H2,1-3H3,(H,22,23);1H
InChIKeyVJDQEXVTAFIWMW-UHFFFAOYSA-N
XLogP3.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;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)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride (CID 119607048) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CCc1ccc(-c2ccccc2F)o1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride?
The InChIKey is VJDQEXVTAFIWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2.ClH/c1-13(2)19(3,12-21)22-18(23)11-9-14-8-10-17(24-14)15-6-4-5-7-16(15)20;/h4-8,10,13H,9,11-12,21H2,1-3H3,(H,22,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride has a molecular weight of 368.88 g/mol, XLogP of 3.93, 7 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)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119607048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).