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

C13H20ClFN2O — CID 119587572

IUPACN-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-9(2)7-12(8-15)16-13(17)10-3-5-11(14)6-4-10;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyLGRDPUOFKYUYKY-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.35
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride (PubChem CID 119587572) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
PubChem CID119587572
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-9(2)7-12(8-15)16-13(17)10-3-5-11(14)6-4-10;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyLGRDPUOFKYUYKY-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
CID 119588784
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119586018
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119586687

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride (CID 119587572) is N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
The InChIKey is LGRDPUOFKYUYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-9(2)7-12(8-15)16-13(17)10-3-5-11(14)6-4-10;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 2.35, 5 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)-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119587572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).