(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide

C17H24F2N2O2 — CID 96525138

IUPAC(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O2/c1-3-8-21-9-4-5-15(21)16(22)20-11-17(2,23)13-7-6-12(18)10-14(13)19/h6-7,10,15,23H,3-5,8-9,11H2,1-2H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyKUUURBAXZGBMRE-RDJZCZTQSA-N
MW326.39 g/mol
LogP2.16
Rot. Bonds6

About (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide

(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide (PubChem CID 96525138) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
PubChem CID96525138
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O2/c1-3-8-21-9-4-5-15(21)16(22)20-11-17(2,23)13-7-6-12(18)10-14(13)19/h6-7,10,15,23H,3-5,8-9,11H2,1-2H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyKUUURBAXZGBMRE-RDJZCZTQSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 100861022
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
CID 111335334
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111335296
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide (CID 96525138) is (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide is CCCN1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccc(F)cc1F.
What is the InChIKey of (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide?
The InChIKey is KUUURBAXZGBMRE-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-3-8-21-9-4-5-15(21)16(22)20-11-17(2,23)13-7-6-12(18)10-14(13)19/h6-7,10,15,23H,3-5,8-9,11H2,1-2H3,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide?
(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 96525138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).