2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

C18H17ClFNO — CID 50747018

IUPAC2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H17ClFNO/c19-15-8-6-13(7-9-15)11-18(22)21-10-2-5-17(21)14-3-1-4-16(20)12-14/h1,3-4,6-9,12,17H,2,5,10-11H2
InChIKeyDVLVDVXYOLPIDI-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747018) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747018
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C18H17ClFNO/c19-15-8-6-13(7-9-15)11-18(22)21-10-2-5-17(21)14-3-1-4-16(20)12-14/h1,3-4,6-9,12,17H,2,5,10-11H2
InChIKeyDVLVDVXYOLPIDI-UHFFFAOYSA-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

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573205
N-Benzyl-4-chloro-N-methylbenzamide
CID 306478
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-(2-Chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 974099
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone (CID 50747018) is 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DVLVDVXYOLPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-15-8-6-13(7-9-15)11-18(22)21-10-2-5-17(21)14-3-1-4-16(20)12-14/h1,3-4,6-9,12,17H,2,5,10-11H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-(3-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-(4-chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).