N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide

C22H28FN3O — CID 110620905

IUPACN-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN1Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C22H28FN3O/c1-25(2)21(17-9-4-3-5-10-17)15-24-22(27)20-13-8-14-26(20)16-18-11-6-7-12-19(18)23/h3-7,9-12,20-21H,8,13-16H2,1-2H3,(H,24,27)
InChIKeyJZMASFFXPMHSMZ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110620905) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID110620905
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN1Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C22H28FN3O/c1-25(2)21(17-9-4-3-5-10-17)15-24-22(27)20-13-8-14-26(20)16-18-11-6-7-12-19(18)23/h3-7,9-12,20-21H,8,13-16H2,1-2H3,(H,24,27)
InChIKeyJZMASFFXPMHSMZ-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 110621560
1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 110620590
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 110611908
(2R)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 6600143
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110632719
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
1-[(2-fluorophenyl)methyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 110629669
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110607627
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 110620905) is N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide is CN(C)C(CNC(=O)C1CCCN1Cc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JZMASFFXPMHSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25(2)21(17-9-4-3-5-10-17)15-24-22(27)20-13-8-14-26(20)16-18-11-6-7-12-19(18)23/h3-7,9-12,20-21H,8,13-16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110620905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).