2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one

C27H26FNO2 — CID 66805852

IUPAC2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one
SMILESCc1ccc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c(F)c1
InChIInChI=1S/C27H26FNO2/c1-18-9-11-24(26(28)13-18)20-6-4-5-19(14-20)17-31-23-10-12-25-21(15-23)16-29(27(25)30)22-7-2-3-8-22/h4-6,9-15,22H,2-3,7-8,16-17H2,1H3
InChIKeyQWAKOVPCOXCIOS-UHFFFAOYSA-N
MW415.51 g/mol
LogP6.28
Rot. Bonds5

About 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one

2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one (PubChem CID 66805852) has the molecular formula C27H26FNO2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one
PubChem CID66805852
Molecular FormulaC27H26FNO2
Molecular Weight415.51 g/mol
Exact Mass415.19
IUPAC Name2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one
SMILESCc1ccc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c(F)c1
InChIInChI=1S/C27H26FNO2/c1-18-9-11-24(26(28)13-18)20-6-4-5-19(14-20)17-31-23-10-12-25-21(15-23)16-29(27(25)30)22-7-2-3-8-22/h4-6,9-15,22H,2-3,7-8,16-17H2,1H3
InChIKeyQWAKOVPCOXCIOS-UHFFFAOYSA-N
XLogP6.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one 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 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one (CID 66805852) is 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one is Cc1ccc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c(F)c1.
What is the InChIKey of 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one?
The InChIKey is QWAKOVPCOXCIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FNO2/c1-18-9-11-24(26(28)13-18)20-6-4-5-19(14-20)17-31-23-10-12-25-21(15-23)16-29(27(25)30)22-7-2-3-8-22/h4-6,9-15,22H,2-3,7-8,16-17H2,1H3.
What are the key properties of 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one?
2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one has a molecular weight of 415.51 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[[3-(2-fluoro-4-methylphenyl)phenyl]methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 66805852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).