N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride

C15H23ClF2N2O — CID 119587847

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCc1cc(F)ccc1F.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-10(2)7-13(9-18)19-15(20)6-3-11-8-12(16)4-5-14(11)17;/h4-5,8,10,13H,3,6-7,9,18H2,1-2H3,(H,19,20);1H
InChIKeyXDIMOAJUOFUYEK-UHFFFAOYSA-N
MW320.81 g/mol
LogP2.81
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride (PubChem CID 119587847) has the molecular formula C15H23ClF2N2O and a molecular weight of 320.81 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
PubChem CID119587847
Molecular FormulaC15H23ClF2N2O
Molecular Weight320.81 g/mol
Exact Mass320.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCc1cc(F)ccc1F.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-10(2)7-13(9-18)19-15(20)6-3-11-8-12(16)4-5-14(11)17;/h4-5,8,10,13H,3,6-7,9,18H2,1-2H3,(H,19,20);1H
InChIKeyXDIMOAJUOFUYEK-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119588182
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
N-(1-aminopropan-2-yl)-3-(2,5-difluorophenyl)-N-methylpropanamide;hydrochloride
CID 119584126
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
CID 119524062
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
CID 94463666

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride (CID 119587847) is N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCc1cc(F)ccc1F.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride?
The InChIKey is XDIMOAJUOFUYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O.ClH/c1-10(2)7-13(9-18)19-15(20)6-3-11-8-12(16)4-5-14(11)17;/h4-5,8,10,13H,3,6-7,9,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride has a molecular weight of 320.81 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119587847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).