2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride

C16H26ClFN2O2 — CID 119822525

IUPAC2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)CC(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H25FN2O2.ClH/c1-4-9-16(3,18)15(21)19-11(2)10-14(20)12-5-7-13(17)8-6-12;/h5-8,11,14,20H,4,9-10,18H2,1-3H3,(H,19,21);1H
InChIKeyTZUWAHPUJXPVJL-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.69
Rot. Bonds7

About 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride

2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride (PubChem CID 119822525) has the molecular formula C16H26ClFN2O2 and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
PubChem CID119822525
Molecular FormulaC16H26ClFN2O2
Molecular Weight332.85 g/mol
Exact Mass332.17
IUPAC Name2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)CC(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H25FN2O2.ClH/c1-4-9-16(3,18)15(21)19-11(2)10-14(20)12-5-7-13(17)8-6-12;/h5-8,11,14,20H,4,9-10,18H2,1-3H3,(H,19,21);1H
InChIKeyTZUWAHPUJXPVJL-UHFFFAOYSA-N
XLogP2.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
2-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119742779
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000345
2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
CID 119822491
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119778527
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride (CID 119822525) is 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)CC(O)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride?
The InChIKey is TZUWAHPUJXPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2.ClH/c1-4-9-16(3,18)15(21)19-11(2)10-14(20)12-5-7-13(17)8-6-12;/h5-8,11,14,20H,4,9-10,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride?
2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119822525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).