N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride

C15H22ClFN2O2 — CID 119626886

IUPACN-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
SMILESCC(CC(=O)NCC(C)(C)N)C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(7-13(19)18-9-15(2,3)17)14(20)11-5-4-6-12(16)8-11;/h4-6,8,10H,7,9,17H2,1-3H3,(H,18,19);1H
InChIKeyNQOQZLCJJJALCC-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.31
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride (PubChem CID 119626886) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
PubChem CID119626886
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC NameN-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
SMILESCC(CC(=O)NCC(C)(C)N)C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(7-13(19)18-9-15(2,3)17)14(20)11-5-4-6-12(16)8-11;/h4-6,8,10H,7,9,17H2,1-3H3,(H,18,19);1H
InChIKeyNQOQZLCJJJALCC-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 95904870
4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 119525803
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
N-(2-amino-2-methylpropyl)-2-(2,4-difluorophenyl)acetamide;hydrochloride
CID 119629495
N-(2-amino-2-methylpropyl)-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119627760
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120600948

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride (CID 119626886) is N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride is CC(CC(=O)NCC(C)(C)N)C(=O)c1cccc(F)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride?
The InChIKey is NQOQZLCJJJALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-10(7-13(19)18-9-15(2,3)17)14(20)11-5-4-6-12(16)8-11;/h4-6,8,10H,7,9,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119626886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).