N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide

C21H23FN2O — CID 91936847

IUPACN-benzyl-1-(5-fluoropentyl)indole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C21H23FN2O/c22-13-7-2-8-14-24-16-19(18-11-5-6-12-20(18)24)21(25)23-15-17-9-3-1-4-10-17/h1,3-6,9-12,16H,2,7-8,13-15H2,(H,23,25)
InChIKeyVFLXAWVAWXHMFB-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.71
Rot. Bonds8

About N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide

N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide (PubChem CID 91936847) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(5-fluoropentyl)indole-3-carboxamide
PubChem CID91936847
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-benzyl-1-(5-fluoropentyl)indole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C21H23FN2O/c22-13-7-2-8-14-24-16-19(18-11-5-6-12-20(18)24)21(25)23-15-17-9-3-1-4-10-17/h1,3-6,9-12,16H,2,7-8,13-15H2,(H,23,25)
InChIKeyVFLXAWVAWXHMFB-UHFFFAOYSA-N
XLogP4.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.71
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 N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide?
The IUPAC name of N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide (CID 91936847) is N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide is O=C(NCc1ccccc1)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide?
The InChIKey is VFLXAWVAWXHMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-13-7-2-8-14-24-16-19(18-11-5-6-12-20(18)24)21(25)23-15-17-9-3-1-4-10-17/h1,3-6,9-12,16H,2,7-8,13-15H2,(H,23,25).
What are the key properties of N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide?
N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5-fluoropentyl)indole-3-carboxamide is sourced from PubChem (CID 91936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).