4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide

C24H19F4N3O2 — CID 166525939

About 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide

4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 166525939) has the molecular formula C24H19F4N3O2 and a molecular weight of 457.43 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide
• PubChem CID: 166525939
• Molecular Formula: C24H19F4N3O2
• Molecular Weight: 457.43 g/mol
• Exact Mass: 457.14
• IUPAC Name: 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide
• SMILES: CN(C(=O)c1cc2c(C(F)F)cc(F)cc2[nH]1)C1CCCc2[nH]c(=O)c3cc(F)ccc3c21
• InChI: InChI=1S/C24H19F4N3O2/c1-31(24(33)19-10-14-15(22(27)28)8-12(26)9-18(14)29-19)20-4-2-3-17-21(20)13-6-5-11(25)7-16(13)23(32)30-17/h5-10,20,22,29H,2-4H2,1H3,(H,30,32)
• InChIKey: BAFXRXRCXNAIDB-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 68.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.43
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide?

The IUPAC name of 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide (CID 166525939) is 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide.

What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide?

The canonical SMILES for 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2c(C(F)F)cc(F)cc2[nH]1)C1CCCc2[nH]c(=O)c3cc(F)ccc3c21.

What is the InChIKey of 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide?

The InChIKey is BAFXRXRCXNAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O2/c1-31(24(33)19-10-14-15(22(27)28)8-12(26)9-18(14)29-19)20-4-2-3-17-21(20)13-6-5-11(25)7-16(13)23(32)30-17/h5-10,20,22,29H,2-4H2,1H3,(H,30,32).

What are the key properties of 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide?

4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 457.43 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166525939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).