(4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone

C26H26FNO — CID 71308187

IUPAC(4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone
SMILESCCc1ccc(C(=O)c2cn(CCCCCF)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26FNO/c1-2-19-14-15-23(21-11-5-4-10-20(19)21)26(29)24-18-28(17-9-3-8-16-27)25-13-7-6-12-22(24)25/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3
InChIKeyNSCXPXDWLZORPX-UHFFFAOYSA-N
MW387.50 g/mol
LogP6.73
Rot. Bonds8

About (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone

(4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone (PubChem CID 71308187) has the molecular formula C26H26FNO and a molecular weight of 387.50 g/mol. Its IUPAC name is (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone
PubChem CID71308187
Molecular FormulaC26H26FNO
Molecular Weight387.50 g/mol
Exact Mass387.20
IUPAC Name(4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone
SMILESCCc1ccc(C(=O)c2cn(CCCCCF)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26FNO/c1-2-19-14-15-23(21-11-5-4-10-20(19)21)26(29)24-18-28(17-9-3-8-16-27)25-13-7-6-12-22(24)25/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3
InChIKeyNSCXPXDWLZORPX-UHFFFAOYSA-N
XLogP6.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone?
The IUPAC name of (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone (CID 71308187) is (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone.
What is the SMILES notation for (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone?
The canonical SMILES for (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone is CCc1ccc(C(=O)c2cn(CCCCCF)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone?
The InChIKey is NSCXPXDWLZORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO/c1-2-19-14-15-23(21-11-5-4-10-20(19)21)26(29)24-18-28(17-9-3-8-16-27)25-13-7-6-12-22(24)25/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3.
What are the key properties of (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone?
(4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone has a molecular weight of 387.50 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylnaphthalen-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone is sourced from PubChem (CID 71308187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).