3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride

C19H24ClFN2O — CID 119710675

IUPAC3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)C(C)c1ccccc1F)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H23FN2O.ClH/c1-13(18(21)15-9-5-4-6-10-15)19(23)22(3)14(2)16-11-7-8-12-17(16)20;/h4-14,18H,21H2,1-3H3;1H
InChIKeyLCUVDZZDOQYYBD-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.10
Rot. Bonds5

About 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride (PubChem CID 119710675) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
PubChem CID119710675
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)C(C)c1ccccc1F)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H23FN2O.ClH/c1-13(18(21)15-9-5-4-6-10-15)19(23)22(3)14(2)16-11-7-8-12-17(16)20;/h4-14,18H,21H2,1-3H3;1H
InChIKeyLCUVDZZDOQYYBD-UHFFFAOYSA-N
XLogP4.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119717391
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907700
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride (CID 119710675) is 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride is CC(C(=O)N(C)C(C)c1ccccc1F)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The InChIKey is LCUVDZZDOQYYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O.ClH/c1-13(18(21)15-9-5-4-6-10-15)19(23)22(3)14(2)16-11-7-8-12-17(16)20;/h4-14,18H,21H2,1-3H3;1H.
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119710675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).