3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H26ClFN2O — CID 119737212

IUPAC3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)C(C)C(N)c1ccccc1)C(C)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H25FN2O.ClH/c1-4-23(15(3)16-10-12-18(21)13-11-16)20(24)14(2)19(22)17-8-6-5-7-9-17;/h5-15,19H,4,22H2,1-3H3;1H
InChIKeyCFAKSUSEEHUTOB-UHFFFAOYSA-N
MW364.89 g/mol
LogP4.49
Rot. Bonds6

About 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119737212) has the molecular formula C20H26ClFN2O and a molecular weight of 364.89 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119737212
Molecular FormulaC20H26ClFN2O
Molecular Weight364.89 g/mol
Exact Mass364.17
IUPAC Name3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)C(C)C(N)c1ccccc1)C(C)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H25FN2O.ClH/c1-4-23(15(3)16-10-12-18(21)13-11-16)20(24)14(2)19(22)17-8-6-5-7-9-17;/h5-15,19H,4,22H2,1-3H3;1H
InChIKeyCFAKSUSEEHUTOB-UHFFFAOYSA-N
XLogP4.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
2-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 115286679
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 62853654
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119717391
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
CID 119688833
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119737212) is 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is CCN(C(=O)C(C)C(N)c1ccccc1)C(C)c1ccc(F)cc1.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is CFAKSUSEEHUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O.ClH/c1-4-23(15(3)16-10-12-18(21)13-11-16)20(24)14(2)19(22)17-8-6-5-7-9-17;/h5-15,19H,4,22H2,1-3H3;1H.
What are the key properties of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 364.89 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119737212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).