N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride

C14H22ClFN2O — CID 119599305

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-10(2)8-14(3,9-16)17-13(18)11-4-6-12(15)7-5-11;/h4-7,10H,8-9,16H2,1-3H3,(H,17,18);1H
InChIKeyRGAWKIUXYFGKHV-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.74
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride (PubChem CID 119599305) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
PubChem CID119599305
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-10(2)8-14(3,9-16)17-13(18)11-4-6-12(15)7-5-11;/h4-7,10H,8-9,16H2,1-3H3,(H,17,18);1H
InChIKeyRGAWKIUXYFGKHV-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119599349
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride (CID 119599305) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
The InChIKey is RGAWKIUXYFGKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-10(2)8-14(3,9-16)17-13(18)11-4-6-12(15)7-5-11;/h4-7,10H,8-9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119599305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).