2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride

C20H26Cl2FN3O — CID 120595897

IUPAC2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)NCC1CCN(c2ccc(F)cc2)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24FN3O.2ClH/c1-20(22,16-5-3-2-4-6-16)19(25)23-13-15-11-12-24(14-15)18-9-7-17(21)8-10-18;;/h2-10,15H,11-14,22H2,1H3,(H,23,25);2*1H
InChIKeyLIVYPSGRJZUBIE-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.49
Rot. Bonds5

About 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120595897) has the molecular formula C20H26Cl2FN3O and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120595897
Molecular FormulaC20H26Cl2FN3O
Molecular Weight414.35 g/mol
Exact Mass413.14
IUPAC Name2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)NCC1CCN(c2ccc(F)cc2)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24FN3O.2ClH/c1-20(22,16-5-3-2-4-6-16)19(25)23-13-15-11-12-24(14-15)18-9-7-17(21)8-10-18;;/h2-10,15H,11-14,22H2,1H3,(H,23,25);2*1H
InChIKeyLIVYPSGRJZUBIE-UHFFFAOYSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120596259
2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 167801766
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
1-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862649
2-amino-N-[(2-hydroxycyclopentyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590935
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride (CID 120595897) is 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride is CC(N)(C(=O)NCC1CCN(c2ccc(F)cc2)C1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is LIVYPSGRJZUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O.2ClH/c1-20(22,16-5-3-2-4-6-16)19(25)23-13-15-11-12-24(14-15)18-9-7-17(21)8-10-18;;/h2-10,15H,11-14,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 414.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).