[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone

C18H15ClFNO2 — CID 11174940

IUPAC[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H15ClFNO2/c19-16-4-2-1-3-15(16)18(23)21-10-9-13(11-21)17(22)12-5-7-14(20)8-6-12/h1-8,13H,9-11H2
InChIKeyWWMKVPFGRYRBNR-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.82
Rot. Bonds3

About [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone

[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 11174940) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID11174940
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC Name[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H15ClFNO2/c19-16-4-2-1-3-15(16)18(23)21-10-9-13(11-21)17(22)12-5-7-14(20)8-6-12/h1-8,13H,9-11H2
InChIKeyWWMKVPFGRYRBNR-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69455246
[1-(1-benzoyl-3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67993225
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone (CID 11174940) is [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is WWMKVPFGRYRBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2/c19-16-4-2-1-3-15(16)18(23)21-10-9-13(11-21)17(22)12-5-7-14(20)8-6-12/h1-8,13H,9-11H2.
What are the key properties of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 331.77 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 11174940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).