1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide

C24H23FN2O — CID 118796566

IUPAC1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H23FN2O/c25-15-6-1-7-16-27-17-21(20-12-4-5-14-23(20)27)24(28)26-22-13-8-10-18-9-2-3-11-19(18)22/h2-5,8-14,17H,1,6-7,15-16H2,(H,26,28)
InChIKeyDJKVOBZLMBHFKX-UHFFFAOYSA-N
MW374.46 g/mol
LogP6.19
Rot. Bonds7

About 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide

1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide (PubChem CID 118796566) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide
PubChem CID118796566
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H23FN2O/c25-15-6-1-7-16-27-17-21(20-12-4-5-14-23(20)27)24(28)26-22-13-8-10-18-9-2-3-11-19(18)22/h2-5,8-14,17H,1,6-7,15-16H2,(H,26,28)
InChIKeyDJKVOBZLMBHFKX-UHFFFAOYSA-N
XLogP6.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 56.19
H-Bond Donors ≤ 51
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 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide?
The IUPAC name of 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide (CID 118796566) is 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide.
What is the SMILES notation for 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide?
The canonical SMILES for 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide is O=C(Nc1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide?
The InChIKey is DJKVOBZLMBHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-15-6-1-7-16-27-17-21(20-12-4-5-14-23(20)27)24(28)26-22-13-8-10-18-9-2-3-11-19(18)22/h2-5,8-14,17H,1,6-7,15-16H2,(H,26,28).
What are the key properties of 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide?
1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide is sourced from PubChem (CID 118796566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).