(4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

C24H22FNO — CID 71454236

IUPAC(4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H22FNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3
InChIKeyHDWMKVHXWFNFQW-UHFFFAOYSA-N
MW359.44 g/mol
LogP6.35
Rot. Bonds6

About (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

(4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 71454236) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID71454236
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name(4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H22FNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3
InChIKeyHDWMKVHXWFNFQW-UHFFFAOYSA-N
XLogP6.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 56.35
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-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 71454236) is (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is HDWMKVHXWFNFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3.
What are the key properties of (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone has a molecular weight of 359.44 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 71454236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).