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

C15H24ClFN2O — CID 119524696

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(C)CN)Cc1cccc(F)c1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-11(7-12-5-4-6-13(16)9-12)8-14(19)18-15(2,3)10-17;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,18,19);1H
InChIKeyHMIUQIOXAIYSKB-UHFFFAOYSA-N
MW302.82 g/mol
LogP2.67
Rot. Bonds6

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

N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119524696) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
PubChem CID119524696
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(C)CN)Cc1cccc(F)c1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-11(7-12-5-4-6-13(16)9-12)8-14(19)18-15(2,3)10-17;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,18,19);1H
InChIKeyHMIUQIOXAIYSKB-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119599995
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
(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-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide
CID 119523708
N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119607062
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (CID 119524696) is N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is CC(CC(=O)NC(C)(C)CN)Cc1cccc(F)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is HMIUQIOXAIYSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c1-11(7-12-5-4-6-13(16)9-12)8-14(19)18-15(2,3)10-17;/h4-6,9,11H,7-8,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 302.82 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119524696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).