2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone

C18H16ClF2NO — CID 50747123

IUPAC2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H16ClF2NO/c19-15-3-1-4-16(21)14(15)11-18(23)22-10-2-5-17(22)12-6-8-13(20)9-7-12/h1,3-4,6-9,17H,2,5,10-11H2
InChIKeyNQFPDHVWZMWZSX-UHFFFAOYSA-N
MW335.78 g/mol
LogP4.52
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747123) has the molecular formula C18H16ClF2NO and a molecular weight of 335.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747123
Molecular FormulaC18H16ClF2NO
Molecular Weight335.78 g/mol
Exact Mass335.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H16ClF2NO/c19-15-3-1-4-16(21)14(15)11-18(23)22-10-2-5-17(22)12-6-8-13(20)9-7-12/h1,3-4,6-9,17H,2,5,10-11H2
InChIKeyNQFPDHVWZMWZSX-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-chloro-N-cyclohexyl-N-methylbenzamide
CID 306655
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
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
1-(2-Chloro-4,5-difluorobenzoyl)-4-(2-phenylethyl)piperazine
CID 1244283
1-(2-Chloro-4-fluorobenzyl)-4-(3-phenylpropanoyl)piperazine
CID 2970236
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4882509
N-[1-(4-chlorobenzyl)-3-piperidinyl]-2-(2,3-difluorophenyl)acetamide
CID 23723802
3-(3-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one
CID 44302821

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone (CID 50747123) is 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NQFPDHVWZMWZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO/c19-15-3-1-4-16(21)14(15)11-18(23)22-10-2-5-17(22)12-6-8-13(20)9-7-12/h1,3-4,6-9,17H,2,5,10-11H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 335.78 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).