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

IUPAC5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3cccc(Cl)c3F)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=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)
InChIKeyGANPWCDVIWTVRL-UHFFFAOYSA-N
MW578.42 g/mol
LogP6.04
Rot. Bonds6

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 Name5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
PubChem CID163232399
Molecular FormulaC28H24Cl2F3N3O3
Molecular Weight578.42 g/mol
Exact Mass577.11
IUPAC Name5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3cccc(Cl)c3F)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=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)
InChIKeyGANPWCDVIWTVRL-UHFFFAOYSA-N
XLogP6.04
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.42
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).