1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide

C23H21FN4O2 — CID 53200909

IUPAC1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCC(NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C23H21FN4O2/c1-15(20-6-2-3-13-25-20)26-22(29)19-5-4-7-21-18(19)12-14-28(21)23(30)27-17-10-8-16(24)9-11-17/h2-11,13,15H,12,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyFRMCTVNKASXKCZ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.31
Rot. Bonds4

About 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide

1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53200909) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53200909
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCC(NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C23H21FN4O2/c1-15(20-6-2-3-13-25-20)26-22(29)19-5-4-7-21-18(19)12-14-28(21)23(30)27-17-10-8-16(24)9-11-17/h2-11,13,15H,12,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyFRMCTVNKASXKCZ-UHFFFAOYSA-N
XLogP4.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 53200909) is 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide is CC(NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is FRMCTVNKASXKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-15(20-6-2-3-13-25-20)26-22(29)19-5-4-7-21-18(19)12-14-28(21)23(30)27-17-10-8-16(24)9-11-17/h2-11,13,15H,12,14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53200909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).