3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole

C26H25ClF3NO2 — CID 146663488

IUPAC3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole
SMILESC=C(CCc1[nH]c2ccc(OCc3ccc(C4=CCCC4)c(C(F)(F)F)c3)cc2c1Cl)OC
InChIInChI=1S/C26H25ClF3NO2/c1-16(32-2)7-11-24-25(27)21-14-19(9-12-23(21)31-24)33-15-17-8-10-20(18-5-3-4-6-18)22(13-17)26(28,29)30/h5,8-10,12-14,31H,1,3-4,6-7,11,15H2,2H3
InChIKeyHCYPSMDPWOEPNM-UHFFFAOYSA-N
MW475.94 g/mol
LogP8.08
Rot. Bonds8

About 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole

3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole (PubChem CID 146663488) has the molecular formula C26H25ClF3NO2 and a molecular weight of 475.94 g/mol. Its IUPAC name is 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole.

Molecular Properties

Compound Name3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole
PubChem CID146663488
Molecular FormulaC26H25ClF3NO2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC Name3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole
SMILESC=C(CCc1[nH]c2ccc(OCc3ccc(C4=CCCC4)c(C(F)(F)F)c3)cc2c1Cl)OC
InChIInChI=1S/C26H25ClF3NO2/c1-16(32-2)7-11-24-25(27)21-14-19(9-12-23(21)31-24)33-15-17-8-10-20(18-5-3-4-6-18)22(13-17)26(28,29)30/h5,8-10,12-14,31H,1,3-4,6-7,11,15H2,2H3
InChIKeyHCYPSMDPWOEPNM-UHFFFAOYSA-N
XLogP8.08
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.94
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole 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 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole?
The IUPAC name of 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole (CID 146663488) is 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole.
What is the SMILES notation for 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole?
The canonical SMILES for 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole is C=C(CCc1[nH]c2ccc(OCc3ccc(C4=CCCC4)c(C(F)(F)F)c3)cc2c1Cl)OC.
What is the InChIKey of 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole?
The InChIKey is HCYPSMDPWOEPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3NO2/c1-16(32-2)7-11-24-25(27)21-14-19(9-12-23(21)31-24)33-15-17-8-10-20(18-5-3-4-6-18)22(13-17)26(28,29)30/h5,8-10,12-14,31H,1,3-4,6-7,11,15H2,2H3.
What are the key properties of 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole?
3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole has a molecular weight of 475.94 g/mol, XLogP of 8.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[4-(cyclopenten-1-yl)-3-(trifluoromethyl)phenyl]methoxy]-2-(3-methoxybut-3-enyl)-1H-indole is sourced from PubChem (CID 146663488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).