N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride

C20H25ClF2N2O2 — CID 119526208

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)Cc2ccccc2OC(F)F)cc1.Cl
InChIInChI=1S/C20H24F2N2O2.ClH/c1-13(2)14-7-9-15(10-8-14)17(23)12-24-19(25)11-16-5-3-4-6-18(16)26-20(21)22;/h3-10,13,17,20H,11-12,23H2,1-2H3,(H,24,25);1H
InChIKeyNRHPSBSDMQOVOF-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.19
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119526208) has the molecular formula C20H25ClF2N2O2 and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID119526208
Molecular FormulaC20H25ClF2N2O2
Molecular Weight398.88 g/mol
Exact Mass398.16
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)Cc2ccccc2OC(F)F)cc1.Cl
InChIInChI=1S/C20H24F2N2O2.ClH/c1-13(2)14-7-9-15(10-8-14)17(23)12-24-19(25)11-16-5-3-4-6-18(16)26-20(21)22;/h3-10,13,17,20H,11-12,23H2,1-2H3,(H,24,25);1H
InChIKeyNRHPSBSDMQOVOF-UHFFFAOYSA-N
XLogP4.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 120505995
2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119225812
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 99815527
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide
CID 119607084
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119525724
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-sulfamoylpropyl)urea
CID 131961772
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
CID 119525446

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride (CID 119526208) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)Cc2ccccc2OC(F)F)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is NRHPSBSDMQOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2.ClH/c1-13(2)14-7-9-15(10-8-14)17(23)12-24-19(25)11-16-5-3-4-6-18(16)26-20(21)22;/h3-10,13,17,20H,11-12,23H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 398.88 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119526208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).