3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one

C22H25F2NO — CID 56800411

IUPAC3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(c1ccccc1)C1CCCN1C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C22H25F2NO/c1-2-18(17-7-4-3-5-8-17)21-9-6-14-25(21)22(26)13-11-16-10-12-19(23)20(24)15-16/h3-5,7-8,10,12,15,18,21H,2,6,9,11,13-14H2,1H3
InChIKeyFJJMINORVUDZFY-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.08
Rot. Bonds6

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

3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 56800411) has the molecular formula C22H25F2NO and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID56800411
Molecular FormulaC22H25F2NO
Molecular Weight357.44 g/mol
Exact Mass357.19
IUPAC Name3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(c1ccccc1)C1CCCN1C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C22H25F2NO/c1-2-18(17-7-4-3-5-8-17)21-9-6-14-25(21)22(26)13-11-16-10-12-19(23)20(24)15-16/h3-5,7-8,10,12,15,18,21H,2,6,9,11,13-14H2,1H3
InChIKeyFJJMINORVUDZFY-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
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3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
3-(3,4-difluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
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CID 95592283
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
(2R,3R)-1-[4-(3,4-difluorophenyl)butanoyl]-2-methylpiperidine-3-carboxylic acid
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3-(3,4-difluorophenyl)-1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 86951491
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 124832355
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 124832356
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
CID 56800394
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one (CID 56800411) is 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one is CCC(c1ccccc1)C1CCCN1C(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FJJMINORVUDZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO/c1-2-18(17-7-4-3-5-8-17)21-9-6-14-25(21)22(26)13-11-16-10-12-19(23)20(24)15-16/h3-5,7-8,10,12,15,18,21H,2,6,9,11,13-14H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one?
3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 357.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 56800411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).