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

C18H18FNO — CID 50747366

IUPAC(4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO/c1-13-4-6-14(7-5-13)17-3-2-12-20(17)18(21)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3
InChIKeyMADSEEWWKGNHDA-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.11
Rot. Bonds2

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

(4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747366) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID50747366
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO/c1-13-4-6-14(7-5-13)17-3-2-12-20(17)18(21)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3
InChIKeyMADSEEWWKGNHDA-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 50747366) is (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is MADSEEWWKGNHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-4-6-14(7-5-13)17-3-2-12-20(17)18(21)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 283.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).