(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide

C23H15ClF3N3O3 — CID 176620208

IUPAC(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
SMILESO=C1N[C@@H](c2cc(F)ccc2Cl)c2c(NC(=O)N3C[C@H](O)c4c3ccc(F)c4F)cccc21
InChIInChI=1S/C23H15ClF3N3O3/c24-13-5-4-10(25)8-12(13)21-18-11(22(32)29-21)2-1-3-15(18)28-23(33)30-9-17(31)19-16(30)7-6-14(26)20(19)27/h1-8,17,21,31H,9H2,(H,28,33)(H,29,32)/t17-,21-/m0/s1
InChIKeyIYBLQVDUYHWXBO-UWJYYQICSA-N
MW473.84 g/mol
LogP4.68
Rot. Bonds2

About (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide

(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide (PubChem CID 176620208) has the molecular formula C23H15ClF3N3O3 and a molecular weight of 473.84 g/mol. Its IUPAC name is (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
PubChem CID176620208
Molecular FormulaC23H15ClF3N3O3
Molecular Weight473.84 g/mol
Exact Mass473.08
IUPAC Name(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
SMILESO=C1N[C@@H](c2cc(F)ccc2Cl)c2c(NC(=O)N3C[C@H](O)c4c3ccc(F)c4F)cccc21
InChIInChI=1S/C23H15ClF3N3O3/c24-13-5-4-10(25)8-12(13)21-18-11(22(32)29-21)2-1-3-15(18)28-23(33)30-9-17(31)19-16(30)7-6-14(26)20(19)27/h1-8,17,21,31H,9H2,(H,28,33)(H,29,32)/t17-,21-/m0/s1
InChIKeyIYBLQVDUYHWXBO-UWJYYQICSA-N
XLogP4.68
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.84
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176618853
(3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176619740
(3S)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-2,2-dideuterio-5-fluoro-3-hydroxy-3-(trifluoromethyl)indole-1-carboxamide
CID 176619443
(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-6-(2-cyanoethyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176619433
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-(trifluoromethoxy)-2,3-dihydroindole-1-carboxamide
CID 176618897
(6R)-N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166822855
(2S)-2-tert-butyl-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]pyrrolidine-1-carboxamide
CID 176619647
(3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-3-(trifluoromethyl)-2H-indole-1-carboxamide
CID 176620140
(2S,4R)-N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-hydroxy-2-(1,1,1-trifluoropropan-2-yl)pyrrolidine-1-carboxamide
CID 176618798
(3R)-N-[(3S)-3-(2-chloro-5-fluorophenyl)-6-fluoro-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-3-(trifluoromethyl)-2H-indole-1-carboxamide
CID 176619205
(3R)-N-[(3S)-3-(2-chloro-5-fluorophenyl)-6-(4-cyanopyrazol-1-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176619585
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 176619961

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide (CID 176620208) is (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide is O=C1N[C@@H](c2cc(F)ccc2Cl)c2c(NC(=O)N3C[C@H](O)c4c3ccc(F)c4F)cccc21.
What is the InChIKey of (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?
The InChIKey is IYBLQVDUYHWXBO-UWJYYQICSA-N. The full InChI is InChI=1S/C23H15ClF3N3O3/c24-13-5-4-10(25)8-12(13)21-18-11(22(32)29-21)2-1-3-15(18)28-23(33)30-9-17(31)19-16(30)7-6-14(26)20(19)27/h1-8,17,21,31H,9H2,(H,28,33)(H,29,32)/t17-,21-/m0/s1.
What are the key properties of (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?
(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide has a molecular weight of 473.84 g/mol, XLogP of 4.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 176620208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).