2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone

C18H17ClFNO — CID 51855627

IUPAC2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C18H17ClFNO/c19-15-8-3-1-6-13(15)12-18(22)21-11-5-10-17(21)14-7-2-4-9-16(14)20/h1-4,6-9,17H,5,10-12H2/t17-/m1/s1
InChIKeySASHFOGNHZHHLL-QGZVFWFLSA-N
MW317.79 g/mol
LogP4.39
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 51855627) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID51855627
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C18H17ClFNO/c19-15-8-3-1-6-13(15)12-18(22)21-11-5-10-17(21)14-7-2-4-9-16(14)20/h1-4,6-9,17H,5,10-12H2/t17-/m1/s1
InChIKeySASHFOGNHZHHLL-QGZVFWFLSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95053492
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80678246
2-(2-chlorophenyl)-1-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 91906361
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 55187621
N-[4-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 87028050
(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51856497
2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 42942672
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
2-(2-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809306

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone (CID 51855627) is 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccccc1F.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SASHFOGNHZHHLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-15-8-3-1-6-13(15)12-18(22)21-11-5-10-17(21)14-7-2-4-9-16(14)20/h1-4,6-9,17H,5,10-12H2/t17-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 317.79 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 51855627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).