2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide

C26H27FN2O — CID 11269652

IUPAC2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(C)c1ccc(CN2CCc3cc(NC(=O)Cc4ccc(F)cc4)ccc32)cc1
InChIInChI=1S/C26H27FN2O/c1-18(2)21-7-3-20(4-8-21)17-29-14-13-22-16-24(11-12-25(22)29)28-26(30)15-19-5-9-23(27)10-6-19/h3-12,16,18H,13-15,17H2,1-2H3,(H,28,30)
InChIKeyFUQCSQOPQGGTMJ-UHFFFAOYSA-N
MW402.51 g/mol
LogP5.69
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide

2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide (PubChem CID 11269652) has the molecular formula C26H27FN2O and a molecular weight of 402.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
PubChem CID11269652
Molecular FormulaC26H27FN2O
Molecular Weight402.51 g/mol
Exact Mass402.21
IUPAC Name2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(C)c1ccc(CN2CCc3cc(NC(=O)Cc4ccc(F)cc4)ccc32)cc1
InChIInChI=1S/C26H27FN2O/c1-18(2)21-7-3-20(4-8-21)17-29-14-13-22-16-24(11-12-25(22)29)28-26(30)15-19-5-9-23(27)10-6-19/h3-12,16,18H,13-15,17H2,1-2H3,(H,28,30)
InChIKeyFUQCSQOPQGGTMJ-UHFFFAOYSA-N
XLogP5.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide (CID 11269652) is 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide is CC(C)c1ccc(CN2CCc3cc(NC(=O)Cc4ccc(F)cc4)ccc32)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide?
The InChIKey is FUQCSQOPQGGTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O/c1-18(2)21-7-3-20(4-8-21)17-29-14-13-22-16-24(11-12-25(22)29)28-26(30)15-19-5-9-23(27)10-6-19/h3-12,16,18H,13-15,17H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide has a molecular weight of 402.51 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 11269652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).