N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide

C25H29FN2O3 — CID 89054805

IUPACN-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(F)cc1-c1[nH]c2cc(COOC)ccc2c1C1CCCCC1
InChIInChI=1S/C25H29FN2O3/c1-3-23(29)27-21-12-10-18(26)14-20(21)25-24(17-7-5-4-6-8-17)19-11-9-16(15-31-30-2)13-22(19)28-25/h9-14,17,28H,3-8,15H2,1-2H3,(H,27,29)
InChIKeyBEQPDFLXKIEXCS-UHFFFAOYSA-N
MW424.52 g/mol
LogP6.45
Rot. Bonds7

About N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide

N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide (PubChem CID 89054805) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide
PubChem CID89054805
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC NameN-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(F)cc1-c1[nH]c2cc(COOC)ccc2c1C1CCCCC1
InChIInChI=1S/C25H29FN2O3/c1-3-23(29)27-21-12-10-18(26)14-20(21)25-24(17-7-5-4-6-8-17)19-11-9-16(15-31-30-2)13-22(19)28-25/h9-14,17,28H,3-8,15H2,1-2H3,(H,27,29)
InChIKeyBEQPDFLXKIEXCS-UHFFFAOYSA-N
XLogP6.45
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide?
The IUPAC name of N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide (CID 89054805) is N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide.
What is the SMILES notation for N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide?
The canonical SMILES for N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide is CCC(=O)Nc1ccc(F)cc1-c1[nH]c2cc(COOC)ccc2c1C1CCCCC1.
What is the InChIKey of N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide?
The InChIKey is BEQPDFLXKIEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-3-23(29)27-21-12-10-18(26)14-20(21)25-24(17-7-5-4-6-8-17)19-11-9-16(15-31-30-2)13-22(19)28-25/h9-14,17,28H,3-8,15H2,1-2H3,(H,27,29).
What are the key properties of N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide?
N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide has a molecular weight of 424.52 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]-4-fluorophenyl]propanamide is sourced from PubChem (CID 89054805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).