3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride

C19H25Cl2F2N3O — CID 119953969

IUPAC3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)CC(N)c1ccccc1)c1c(F)cccc1F.Cl.Cl
InChIInChI=1S/C19H23F2N3O.2ClH/c1-24(2)17(19-14(20)9-6-10-15(19)21)12-23-18(25)11-16(22)13-7-4-3-5-8-13;;/h3-10,16-17H,11-12,22H2,1-2H3,(H,23,25);2*1H
InChIKeyCLPDRKGBGJPLRD-UHFFFAOYSA-N
MW420.33 g/mol
LogP3.62
Rot. Bonds7

About 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953969) has the molecular formula C19H25Cl2F2N3O and a molecular weight of 420.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953969
Molecular FormulaC19H25Cl2F2N3O
Molecular Weight420.33 g/mol
Exact Mass419.13
IUPAC Name3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)CC(N)c1ccccc1)c1c(F)cccc1F.Cl.Cl
InChIInChI=1S/C19H23F2N3O.2ClH/c1-24(2)17(19-14(20)9-6-10-15(19)21)12-23-18(25)11-16(22)13-7-4-3-5-8-13;;/h3-10,16-17H,11-12,22H2,1-2H3,(H,23,25);2*1H
InChIKeyCLPDRKGBGJPLRD-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
CID 119952947
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119889365
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
CID 119952317
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride (CID 119953969) is 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride is CN(C)C(CNC(=O)CC(N)c1ccccc1)c1c(F)cccc1F.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is CLPDRKGBGJPLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O.2ClH/c1-24(2)17(19-14(20)9-6-10-15(19)21)12-23-18(25)11-16(22)13-7-4-3-5-8-13;;/h3-10,16-17H,11-12,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 420.33 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).