N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

C25H30FN3O3 — CID 154849933

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2CC(O)CN2C(=O)Cc2ccccc2F)CN1Cc1ccccc1
InChIInChI=1S/C25H30FN3O3/c1-17-11-20(15-28(17)14-18-7-3-2-4-8-18)27-25(32)23-13-21(30)16-29(23)24(31)12-19-9-5-6-10-22(19)26/h2-10,17,20-21,23,30H,11-16H2,1H3,(H,27,32)
InChIKeyUTSMYXQQNYPLTE-UHFFFAOYSA-N
MW439.53 g/mol
LogP2.11
Rot. Bonds6

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 154849933) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID154849933
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2CC(O)CN2C(=O)Cc2ccccc2F)CN1Cc1ccccc1
InChIInChI=1S/C25H30FN3O3/c1-17-11-20(15-28(17)14-18-7-3-2-4-8-18)27-25(32)23-13-21(30)16-29(23)24(31)12-19-9-5-6-10-22(19)26/h2-10,17,20-21,23,30H,11-16H2,1H3,(H,27,32)
InChIKeyUTSMYXQQNYPLTE-UHFFFAOYSA-N
XLogP2.11
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 124618152
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 154849915
(4-methoxycarbonylphenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 55728411
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119895468
[2-(4-chlorophenyl)-2-oxoethyl] 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 55728475
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119895498
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
CID 22248253
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 55999022

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (CID 154849933) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is CC1CC(NC(=O)C2CC(O)CN2C(=O)Cc2ccccc2F)CN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UTSMYXQQNYPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-17-11-20(15-28(17)14-18-7-3-2-4-8-18)27-25(32)23-13-21(30)16-29(23)24(31)12-19-9-5-6-10-22(19)26/h2-10,17,20-21,23,30H,11-16H2,1H3,(H,27,32).
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 154849933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).