N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride

C17H28ClFN2O — CID 119608606

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(CN)C(C)C)Cc1cccc(F)c1.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(2)17(4,11-19)20-16(21)9-13(3)8-14-6-5-7-15(18)10-14;/h5-7,10,12-13H,8-9,11,19H2,1-4H3,(H,20,21);1H
InChIKeyWMUQIGHYXUPLLC-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.31
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119608606) has the molecular formula C17H28ClFN2O and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
PubChem CID119608606
Molecular FormulaC17H28ClFN2O
Molecular Weight330.88 g/mol
Exact Mass330.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(CN)C(C)C)Cc1cccc(F)c1.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(2)17(4,11-19)20-16(21)9-13(3)8-14-6-5-7-15(18)10-14;/h5-7,10,12-13H,8-9,11,19H2,1-4H3,(H,20,21);1H
InChIKeyWMUQIGHYXUPLLC-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119599995
N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119607062
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119605825
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (CID 119608606) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is CC(CC(=O)NC(C)(CN)C(C)C)Cc1cccc(F)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is WMUQIGHYXUPLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O.ClH/c1-12(2)17(4,11-19)20-16(21)9-13(3)8-14-6-5-7-15(18)10-14;/h5-7,10,12-13H,8-9,11,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119608606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).