1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide

C23H27FN4O3 — CID 53160110

IUPAC1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c24-17-5-7-18(8-6-17)26-23(30)28-12-9-19-20(3-1-4-21(19)28)22(29)25-10-2-11-27-13-15-31-16-14-27/h1,3-8H,2,9-16H2,(H,25,29)(H,26,30)
InChIKeyDPVNJEXXZUIBLC-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.87
Rot. Bonds6

About 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide

1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53160110) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53160110
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c24-17-5-7-18(8-6-17)26-23(30)28-12-9-19-20(3-1-4-21(19)28)22(29)25-10-2-11-27-13-15-31-16-14-27/h1,3-8H,2,9-16H2,(H,25,29)(H,26,30)
InChIKeyDPVNJEXXZUIBLC-UHFFFAOYSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 53160110) is 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide is O=C(NCCCN1CCOCC1)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is DPVNJEXXZUIBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-17-5-7-18(8-6-17)26-23(30)28-12-9-19-20(3-1-4-21(19)28)22(29)25-10-2-11-27-13-15-31-16-14-27/h1,3-8H,2,9-16H2,(H,25,29)(H,26,30).
What are the key properties of 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-4-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53160110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).