5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide

C28H24Cl2F3N3O3 — CID 163232399

About 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide

5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 163232399) has the molecular formula C28H24Cl2F3N3O3 and a molecular weight of 578.42 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
• PubChem CID: 163232399
• Molecular Formula: C28H24Cl2F3N3O3
• Molecular Weight: 578.42 g/mol
• Exact Mass: 577.11
• IUPAC Name: 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(CN2C(=O)C(O)(c3cccc(Cl)c3F)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C28H24Cl2F3N3O3/c29-16-12-18(24(25(32)33)34-13-16)26(37)35-17-10-8-15(9-11-17)14-36-22-7-2-1-4-19(22)28(39,27(36)38)20-5-3-6-21(30)23(20)31/h1-7,12-13,15,17,25,39H,8-11,14H2,(H,35,37)
• InChIKey: GANPWCDVIWTVRL-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 82.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.42
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (CID 163232399) is 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is O=C(NC1CCC(CN2C(=O)C(O)(c3cccc(Cl)c3F)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.

What is the InChIKey of 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

The InChIKey is GANPWCDVIWTVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2F3N3O3/c29-16-12-18(24(25(32)33)34-13-16)26(37)35-17-10-8-15(9-11-17)14-36-22-7-2-1-4-19(22)28(39,27(36)38)20-5-3-6-21(30)23(20)31/h1-7,12-13,15,17,25,39H,8-11,14H2,(H,35,37).

What are the key properties of 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 578.42 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 163232399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).