N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride

C16H23ClF2N2O2 — CID 119588182

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCC(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-10(2)7-12(9-19)20-16(22)6-5-15(21)13-4-3-11(17)8-14(13)18;/h3-4,8,10,12H,5-7,9,19H2,1-2H3,(H,20,22);1H
InChIKeyATDAQLDMTJKWER-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.84
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119588182) has the molecular formula C16H23ClF2N2O2 and a molecular weight of 348.82 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID119588182
Molecular FormulaC16H23ClF2N2O2
Molecular Weight348.82 g/mol
Exact Mass348.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCC(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-10(2)7-12(9-19)20-16(22)6-5-15(21)13-4-3-11(17)8-14(13)18;/h3-4,8,10,12H,5-7,9,19H2,1-2H3,(H,20,22);1H
InChIKeyATDAQLDMTJKWER-UHFFFAOYSA-N
XLogP2.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 119586839
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119524438
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119433396
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
CID 119588676

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride (CID 119588182) is N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCC(=O)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is ATDAQLDMTJKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2.ClH/c1-10(2)7-12(9-19)20-16(22)6-5-15(21)13-4-3-11(17)8-14(13)18;/h3-4,8,10,12H,5-7,9,19H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 348.82 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119588182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).