Skip to content

(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

C26H19ClF2N4O3 — CID 176619433

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(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
SMILESN#CCCc1cc(NC(=O)N2C[C@H](O)c3cc(F)ccc32)c2c(c1)C(=O)N[C@H]2c1cc(F)ccc1Cl
InChIInChI=1S/C26H19ClF2N4O3/c27-19-5-3-14(28)10-16(19)24-23-18(25(35)32-24)8-13(2-1-7-30)9-20(23)31-26(36)33-12-22(34)17-11-15(29)4-6-21(17)33/h3-6,8-11,22,24,34H,1-2,12H2,(H,31,36)(H,32,35)/t22-,24-/m0/s1
InChIKeyJWJSRZHBKYIGNO-UPVQGACJSA-N
MW508.91 g/mol
LogP4.99
Rot. Bonds4

About (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

(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 (PubChem CID 176619433) has the molecular formula C26H19ClF2N4O3 and a molecular weight of 508.91 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID176619433
Molecular FormulaC26H19ClF2N4O3
Molecular Weight508.91 g/mol
Exact Mass508.11
IUPAC Name(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
SMILESN#CCCc1cc(NC(=O)N2C[C@H](O)c3cc(F)ccc32)c2c(c1)C(=O)N[C@H]2c1cc(F)ccc1Cl
InChIInChI=1S/C26H19ClF2N4O3/c27-19-5-3-14(28)10-16(19)24-23-18(25(35)32-24)8-13(2-1-7-30)9-20(23)31-26(36)33-12-22(34)17-11-15(29)4-6-21(17)33/h3-6,8-11,22,24,34H,1-2,12H2,(H,31,36)(H,32,35)/t22-,24-/m0/s1
InChIKeyJWJSRZHBKYIGNO-UPVQGACJSA-N
XLogP4.99
TPSA105.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.91
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N#CCCc1cc(NC(=O)N2C[C@H](O)c3cc(F)ccc32)c2c(c1)C(=O)N[C@H]2c1cc(F)ccc1Cl.
What is the InChIKey of (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?
The InChIKey is JWJSRZHBKYIGNO-UPVQGACJSA-N. The full InChI is InChI=1S/C26H19ClF2N4O3/c27-19-5-3-14(28)10-16(19)24-23-18(25(35)32-24)8-13(2-1-7-30)9-20(23)31-26(36)33-12-22(34)17-11-15(29)4-6-21(17)33/h3-6,8-11,22,24,34H,1-2,12H2,(H,31,36)(H,32,35)/t22-,24-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 508.91 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 176619433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.