3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one

C19H19F2NO2 — CID 94801020

IUPAC3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(F)ccc1F)N1CCC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C19H19F2NO2/c20-15-6-9-17(21)14(12-15)5-10-19(24)22-11-1-2-18(22)13-3-7-16(23)8-4-13/h3-4,6-9,12,18,23H,1-2,5,10-11H2/t18-/m0/s1
InChIKeyDYAYIPVYUDYXKO-SFHVURJKSA-N
MW331.36 g/mol
LogP3.97
Rot. Bonds4

About 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one

3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 94801020) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID94801020
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(F)ccc1F)N1CCC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C19H19F2NO2/c20-15-6-9-17(21)14(12-15)5-10-19(24)22-11-1-2-18(22)13-3-7-16(23)8-4-13/h3-4,6-9,12,18,23H,1-2,5,10-11H2/t18-/m0/s1
InChIKeyDYAYIPVYUDYXKO-SFHVURJKSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,5-difluorophenyl)propan-1-one
CID 119633596
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 55688097
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 71886897
1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 47828879
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 47064102
3-(4-bromo-2-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one
CID 51127731
(3S)-1-[3-(2,5-difluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173536
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one (CID 94801020) is 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one is O=C(CCc1cc(F)ccc1F)N1CCC[C@H]1c1ccc(O)cc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DYAYIPVYUDYXKO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-15-6-9-17(21)14(12-15)5-10-19(24)22-11-1-2-18(22)13-3-7-16(23)8-4-13/h3-4,6-9,12,18,23H,1-2,5,10-11H2/t18-/m0/s1.
What are the key properties of 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one?
3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 331.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 94801020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).