1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione

C25H26FNO2 — CID 138624320

IUPAC1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione
SMILESCCCc1ccc(-c2ccc(C3CCC(N4C(=O)C=CC4=O)CC3)cc2)c(F)c1
InChIInChI=1S/C25H26FNO2/c1-2-3-17-4-13-22(23(26)16-17)20-7-5-18(6-8-20)19-9-11-21(12-10-19)27-24(28)14-15-25(27)29/h4-8,13-16,19,21H,2-3,9-12H2,1H3
InChIKeyLIMOQGNQIRLVED-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.40
Rot. Bonds5

About 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione

1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione (PubChem CID 138624320) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione
PubChem CID138624320
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione
SMILESCCCc1ccc(-c2ccc(C3CCC(N4C(=O)C=CC4=O)CC3)cc2)c(F)c1
InChIInChI=1S/C25H26FNO2/c1-2-3-17-4-13-22(23(26)16-17)20-7-5-18(6-8-20)19-9-11-21(12-10-19)27-24(28)14-15-25(27)29/h4-8,13-16,19,21H,2-3,9-12H2,1H3
InChIKeyLIMOQGNQIRLVED-UHFFFAOYSA-N
XLogP5.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 67701116
4-but-3-enyl-2-fluoro-1-[4-(4-propoxycyclohexyl)phenyl]benzene
CID 139749386
1-[6-[4-[2-[4-(2-fluoro-4-propylphenyl)phenyl]ethyl]phenyl]naphthalen-2-yl]pyrrole-2,5-dione
CID 145389647
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
1-[4-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl]cyclohexyl]pyrrole-2,5-dione
CID 138624342
2-fluoro-4-[4-[4-(methoxymethyl)cyclohexyl]butyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 54397674
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323
1-chloro-2-fluoro-4-[2-fluoro-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54224272
2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
CID 167219024

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione (CID 138624320) is 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione is CCCc1ccc(-c2ccc(C3CCC(N4C(=O)C=CC4=O)CC3)cc2)c(F)c1.
What is the InChIKey of 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is LIMOQGNQIRLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO2/c1-2-3-17-4-13-22(23(26)16-17)20-7-5-18(6-8-20)19-9-11-21(12-10-19)27-24(28)14-15-25(27)29/h4-8,13-16,19,21H,2-3,9-12H2,1H3.
What are the key properties of 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione?
1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 391.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 138624320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).