3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide

C24H24F3N3O2 — CID 166008681

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide (PubChem CID 166008681) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
• PubChem CID: 166008681
• Molecular Formula: C24H24F3N3O2
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.18
• IUPAC Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
• SMILES: C[C@H](NC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(=O)N(C)C
• InChI: InChI=1S/C24H24F3N3O2/c1-12(24(32)30(2)3)28-23(31)15-8-14(9-15)20-18-10-17(26)11-19(27)22(18)29-21(20)13-4-6-16(25)7-5-13/h4-7,10-12,14-15,29H,8-9H2,1-3H3,(H,28,31)/t12-,14?,15?/m0/s1
• InChIKey: FSLBKJAEEOZHQQ-GRTSSRMGSA-N
• XLogP: 4.34
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide?

The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide (CID 166008681) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide.

What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide?

The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide is C[C@H](NC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(=O)N(C)C.

What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide?

The InChIKey is FSLBKJAEEOZHQQ-GRTSSRMGSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-12(24(32)30(2)3)28-23(31)15-8-14(9-15)20-18-10-17(26)11-19(27)22(18)29-21(20)13-4-6-16(25)7-5-13/h4-7,10-12,14-15,29H,8-9H2,1-3H3,(H,28,31)/t12-,14?,15?/m0/s1.

What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide?

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166008681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).