naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate

C24H22FNO2 — CID 91864534

IUPACnaphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H22FNO2/c25-15-6-1-7-16-26-17-21(20-12-4-5-13-22(20)26)24(27)28-23-14-8-10-18-9-2-3-11-19(18)23/h2-5,8-14,17H,1,6-7,15-16H2
InChIKeyPRGFSQYZCKCBQO-UHFFFAOYSA-N
MW375.44 g/mol
LogP6.15
Rot. Bonds7

About naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate

naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate (PubChem CID 91864534) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate
PubChem CID91864534
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Namenaphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H22FNO2/c25-15-6-1-7-16-26-17-21(20-12-4-5-13-22(20)26)24(27)28-23-14-8-10-18-9-2-3-11-19(18)23/h2-5,8-14,17H,1,6-7,15-16H2
InChIKeyPRGFSQYZCKCBQO-UHFFFAOYSA-N
XLogP6.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The IUPAC name of naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate (CID 91864534) is naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate.
What is the SMILES notation for naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The canonical SMILES for naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate is O=C(Oc1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The InChIKey is PRGFSQYZCKCBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c25-15-6-1-7-16-26-17-21(20-12-4-5-13-22(20)26)24(27)28-23-14-8-10-18-9-2-3-11-19(18)23/h2-5,8-14,17H,1,6-7,15-16H2.
What are the key properties of naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate?
naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate has a molecular weight of 375.44 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate is sourced from PubChem (CID 91864534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).