1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide

C16H19FN2O — CID 68696518

IUPAC1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide
SMILESNC(=O)c1cn(CC2CCCCC2)c2c(F)cccc12
InChIInChI=1S/C16H19FN2O/c17-14-8-4-7-12-13(16(18)20)10-19(15(12)14)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,18,20)
InChIKeyUWWJWSZVYBZTNV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.46
Rot. Bonds3

About 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide

1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide (PubChem CID 68696518) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide
PubChem CID68696518
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide
SMILESNC(=O)c1cn(CC2CCCCC2)c2c(F)cccc12
InChIInChI=1S/C16H19FN2O/c17-14-8-4-7-12-13(16(18)20)10-19(15(12)14)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,18,20)
InChIKeyUWWJWSZVYBZTNV-UHFFFAOYSA-N
XLogP3.46
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide (CID 68696518) is 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide is NC(=O)c1cn(CC2CCCCC2)c2c(F)cccc12.
What is the InChIKey of 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide?
The InChIKey is UWWJWSZVYBZTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-14-8-4-7-12-13(16(18)20)10-19(15(12)14)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,18,20).
What are the key properties of 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide?
1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-7-fluoroindole-3-carboxamide is sourced from PubChem (CID 68696518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).