(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone

C18H17ClFNO — CID 3701028

IUPAC(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone
SMILESCN1CC(C(=O)c2ccc(Cl)cc2)C(c2ccccc2F)C1
InChIInChI=1S/C18H17ClFNO/c1-21-10-15(14-4-2-3-5-17(14)20)16(11-21)18(22)12-6-8-13(19)9-7-12/h2-9,15-16H,10-11H2,1H3
InChIKeyLHJBCLDBYVWZGT-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.01
Rot. Bonds3

About (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone

(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone (PubChem CID 3701028) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone
PubChem CID3701028
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone
SMILESCN1CC(C(=O)c2ccc(Cl)cc2)C(c2ccccc2F)C1
InChIInChI=1S/C18H17ClFNO/c1-21-10-15(14-4-2-3-5-17(14)20)16(11-21)18(22)12-6-8-13(19)9-7-12/h2-9,15-16H,10-11H2,1H3
InChIKeyLHJBCLDBYVWZGT-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone
CID 4327005
1-(4-Chloro-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-one
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CID 11200115

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone (CID 3701028) is (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone is CN1CC(C(=O)c2ccc(Cl)cc2)C(c2ccccc2F)C1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone?
The InChIKey is LHJBCLDBYVWZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c1-21-10-15(14-4-2-3-5-17(14)20)16(11-21)18(22)12-6-8-13(19)9-7-12/h2-9,15-16H,10-11H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone?
(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone has a molecular weight of 317.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 3701028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).