3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride

C21H26ClF2N3O2 — CID 120884859

IUPAC3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N(CCN)CCc1ccccc1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C21H25F2N3O2.ClH/c1-15(27)25-20(18-8-7-17(22)13-19(18)23)14-21(28)26(12-10-24)11-9-16-5-3-2-4-6-16;/h2-8,13,20H,9-12,14,24H2,1H3,(H,25,27);1H
InChIKeyMGSOMDMGVQXHJW-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.98
Rot. Bonds9

About 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride

3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120884859) has the molecular formula C21H26ClF2N3O2 and a molecular weight of 425.91 g/mol. Its IUPAC name is 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120884859
Molecular FormulaC21H26ClF2N3O2
Molecular Weight425.91 g/mol
Exact Mass425.17
IUPAC Name3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N(CCN)CCc1ccccc1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C21H25F2N3O2.ClH/c1-15(27)25-20(18-8-7-17(22)13-19(18)23)14-21(28)26(12-10-24)11-9-16-5-3-2-4-6-16;/h2-8,13,20H,9-12,14,24H2,1H3,(H,25,27);1H
InChIKeyMGSOMDMGVQXHJW-UHFFFAOYSA-N
XLogP2.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
CID 120886664
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823800
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120884859) is 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride is CC(=O)NC(CC(=O)N(CCN)CCc1ccccc1)c1ccc(F)cc1F.Cl.
What is the InChIKey of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is MGSOMDMGVQXHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2.ClH/c1-15(27)25-20(18-8-7-17(22)13-19(18)23)14-21(28)26(12-10-24)11-9-16-5-3-2-4-6-16;/h2-8,13,20H,9-12,14,24H2,1H3,(H,25,27);1H.
What are the key properties of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 425.91 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120884859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).