[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone

C28H24FNO — CID 45268519

IUPAC[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)C1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C28H24FNO/c29-25-13-12-22-16-20(10-11-23(22)17-25)18-30-15-14-24(19-30)28(31)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,24H,14-15,18-19H2
InChIKeyGVJBLPDTPTULKQ-UHFFFAOYSA-N
MW409.50 g/mol
LogP6.35
Rot. Bonds5

About [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone

[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone (PubChem CID 45268519) has the molecular formula C28H24FNO and a molecular weight of 409.50 g/mol. Its IUPAC name is [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone
PubChem CID45268519
Molecular FormulaC28H24FNO
Molecular Weight409.50 g/mol
Exact Mass409.18
IUPAC Name[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)C1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C28H24FNO/c29-25-13-12-22-16-20(10-11-23(22)17-25)18-30-15-14-24(19-30)28(31)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,24H,14-15,18-19H2
InChIKeyGVJBLPDTPTULKQ-UHFFFAOYSA-N
XLogP6.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)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 [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone (CID 45268519) is [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone is O=C(c1ccccc1-c1ccccc1)C1CCN(Cc2ccc3cc(F)ccc3c2)C1.
What is the InChIKey of [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone?
The InChIKey is GVJBLPDTPTULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO/c29-25-13-12-22-16-20(10-11-23(22)17-25)18-30-15-14-24(19-30)28(31)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,24H,14-15,18-19H2.
What are the key properties of [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone?
[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone has a molecular weight of 409.50 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 45268519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).