N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride

C16H25ClF2N2O2 — CID 119598620

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)Cc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-11(2)9-16(3,10-19)20-14(21)8-12-4-6-13(7-5-12)22-15(17)18;/h4-7,11,15H,8-10,19H2,1-3H3,(H,20,21);1H
InChIKeySTYMUHALAWYNNR-UHFFFAOYSA-N
MW350.84 g/mol
LogP3.13
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119598620) has the molecular formula C16H25ClF2N2O2 and a molecular weight of 350.84 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID119598620
Molecular FormulaC16H25ClF2N2O2
Molecular Weight350.84 g/mol
Exact Mass350.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)Cc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-11(2)9-16(3,10-19)20-14(21)8-12-4-6-13(7-5-12)22-15(17)18;/h4-7,11,15H,8-10,19H2,1-3H3,(H,20,21);1H
InChIKeySTYMUHALAWYNNR-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
N-(1-amino-2,4-dimethylpentan-2-yl)-2-naphthalen-2-ylacetamide;hydrochloride
CID 119597467
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119597780
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119598988
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119599569
2-[4-(difluoromethoxy)phenyl]-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870205
2-[4-(difluoromethoxy)phenyl]-N-(1,1-diphenylethyl)acetamide
CID 56522955
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
CID 115309796
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride (CID 119598620) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)Cc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is STYMUHALAWYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2.ClH/c1-11(2)9-16(3,10-19)20-14(21)8-12-4-6-13(7-5-12)22-15(17)18;/h4-7,11,15H,8-10,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119598620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).