(4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone

C19H20FNO — CID 3265034

IUPAC(4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone
SMILESCc1ccc(C2CN(C)CC2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO/c1-13-3-5-14(6-4-13)17-11-21(2)12-18(17)19(22)15-7-9-16(20)10-8-15/h3-10,17-18H,11-12H2,1-2H3
InChIKeyBYKGNHGDMQKYEE-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.66
Rot. Bonds3

About (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone

(4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone (PubChem CID 3265034) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone
PubChem CID3265034
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone
SMILESCc1ccc(C2CN(C)CC2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO/c1-13-3-5-14(6-4-13)17-11-21(2)12-18(17)19(22)15-7-9-16(20)10-8-15/h3-10,17-18H,11-12H2,1-2H3
InChIKeyBYKGNHGDMQKYEE-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone (CID 3265034) is (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone is Cc1ccc(C2CN(C)CC2C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone?
The InChIKey is BYKGNHGDMQKYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-3-5-14(6-4-13)17-11-21(2)12-18(17)19(22)15-7-9-16(20)10-8-15/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone?
(4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone has a molecular weight of 297.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 3265034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).