N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide

C21H25FN4O — CID 135324352

IUPACN-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESCC(N)CCC(N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C21H25FN4O/c1-13(23)2-9-18(24)12-25-21(27)20-11-16-4-3-15(10-19(16)26-20)14-5-7-17(22)8-6-14/h3-8,10-11,13,18,26H,2,9,12,23-24H2,1H3,(H,25,27)
InChIKeyDKZADVOHRVNCKA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.16
Rot. Bonds7

About N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide

N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide (PubChem CID 135324352) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
PubChem CID135324352
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESCC(N)CCC(N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C21H25FN4O/c1-13(23)2-9-18(24)12-25-21(27)20-11-16-4-3-15(10-19(16)26-20)14-5-7-17(22)8-6-14/h3-8,10-11,13,18,26H,2,9,12,23-24H2,1H3,(H,25,27)
InChIKeyDKZADVOHRVNCKA-UHFFFAOYSA-N
XLogP3.16
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide (CID 135324352) is N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide is CC(N)CCC(N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is DKZADVOHRVNCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13(23)2-9-18(24)12-25-21(27)20-11-16-4-3-15(10-19(16)26-20)14-5-7-17(22)8-6-14/h3-8,10-11,13,18,26H,2,9,12,23-24H2,1H3,(H,25,27).
What are the key properties of N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 135324352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).