N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride

C20H26ClFN2O — CID 119525264

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)CCc2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C20H25FN2O.ClH/c1-14(2)16-6-8-17(9-7-16)19(22)13-23-20(24)12-5-15-3-10-18(21)11-4-15;/h3-4,6-11,14,19H,5,12-13,22H2,1-2H3,(H,23,24);1H
InChIKeyBNXXPHGSLGNKPV-UHFFFAOYSA-N
MW364.89 g/mol
LogP4.12
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride (PubChem CID 119525264) has the molecular formula C20H26ClFN2O and a molecular weight of 364.89 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
PubChem CID119525264
Molecular FormulaC20H26ClFN2O
Molecular Weight364.89 g/mol
Exact Mass364.17
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)CCc2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C20H25FN2O.ClH/c1-14(2)16-6-8-17(9-7-16)19(22)13-23-20(24)12-5-15-3-10-18(21)11-4-15;/h3-4,6-11,14,19H,5,12-13,22H2,1-2H3,(H,23,24);1H
InChIKeyBNXXPHGSLGNKPV-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.89
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119526922
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pent-4-enamide;dihydrochloride
CID 119526644
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
CID 119527050
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529030
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride (CID 119525264) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)CCc2ccc(F)cc2)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride?
The InChIKey is BNXXPHGSLGNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O.ClH/c1-14(2)16-6-8-17(9-7-16)19(22)13-23-20(24)12-5-15-3-10-18(21)11-4-15;/h3-4,6-11,14,19H,5,12-13,22H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride has a molecular weight of 364.89 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119525264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).