4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

C18H20FN5O — CID 146395475

About 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395475) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 146395475
• Molecular Formula: C18H20FN5O
• Molecular Weight: 341.39 g/mol
• Exact Mass: 341.17
• IUPAC Name: 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(N3CNCN3)c1)C2
• InChI: InChI=1S/C18H20FN5O/c1-11-5-6-15(19)14-8-16(23-17(11)14)18(25)22-12-3-2-4-13(7-12)24-10-20-9-21-24/h2-7,16,20-21,23H,8-10H2,1H3,(H,22,25)
• InChIKey: VKTAQRINHHZXOS-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 68.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.39
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395475) is 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(N3CNCN3)c1)C2.

What is the InChIKey of 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is VKTAQRINHHZXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-11-5-6-15(19)14-8-16(23-17(11)14)18(25)22-12-3-2-4-13(7-12)24-10-20-9-21-24/h2-7,16,20-21,23H,8-10H2,1H3,(H,22,25).

What are the key properties of 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).