1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide

C18H26FN3O — CID 153384827

IUPAC1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2c1ccn2CC(CN)CCF
InChIInChI=1S/C18H26FN3O/c1-18(2,3)21-17(23)15-5-4-6-16-14(15)8-10-22(16)12-13(11-20)7-9-19/h4-6,8,10,13H,7,9,11-12,20H2,1-3H3,(H,21,23)
InChIKeyHAYKJLZAMZGBOW-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.10
Rot. Bonds6

About 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide

1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide (PubChem CID 153384827) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide
PubChem CID153384827
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2c1ccn2CC(CN)CCF
InChIInChI=1S/C18H26FN3O/c1-18(2,3)21-17(23)15-5-4-6-16-14(15)8-10-22(16)12-13(11-20)7-9-19/h4-6,8,10,13H,7,9,11-12,20H2,1-3H3,(H,21,23)
InChIKeyHAYKJLZAMZGBOW-UHFFFAOYSA-N
XLogP3.10
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide (CID 153384827) is 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide is CC(C)(C)NC(=O)c1cccc2c1ccn2CC(CN)CCF.
What is the InChIKey of 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide?
The InChIKey is HAYKJLZAMZGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-18(2,3)21-17(23)15-5-4-6-16-14(15)8-10-22(16)12-13(11-20)7-9-19/h4-6,8,10,13H,7,9,11-12,20H2,1-3H3,(H,21,23).
What are the key properties of 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide?
1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-fluorobutyl]-N-tert-butylindole-4-carboxamide is sourced from PubChem (CID 153384827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).