6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one

C19H19ClN2O2 — CID 121317051

IUPAC6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(N4CCC[C@H]4CO)cc3)c(Cl)cc2N1
InChIInChI=1S/C19H19ClN2O2/c20-17-10-18-13(9-19(24)21-18)8-16(17)12-3-5-14(6-4-12)22-7-1-2-15(22)11-23/h3-6,8,10,15,23H,1-2,7,9,11H2,(H,21,24)/t15-/m0/s1
InChIKeyXNNBPDKSLXOSHJ-HNNXBMFYSA-N
MW342.83 g/mol
LogP3.46
Rot. Bonds3

About 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one

6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one (PubChem CID 121317051) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one
PubChem CID121317051
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(N4CCC[C@H]4CO)cc3)c(Cl)cc2N1
InChIInChI=1S/C19H19ClN2O2/c20-17-10-18-13(9-19(24)21-18)8-16(17)12-3-5-14(6-4-12)22-7-1-2-15(22)11-23/h3-6,8,10,15,23H,1-2,7,9,11H2,(H,21,24)/t15-/m0/s1
InChIKeyXNNBPDKSLXOSHJ-HNNXBMFYSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one 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 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one (CID 121317051) is 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3ccc(N4CCC[C@H]4CO)cc3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one?
The InChIKey is XNNBPDKSLXOSHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-17-10-18-13(9-19(24)21-18)8-16(17)12-3-5-14(6-4-12)22-7-1-2-15(22)11-23/h3-6,8,10,15,23H,1-2,7,9,11H2,(H,21,24)/t15-/m0/s1.
What are the key properties of 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one?
6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one has a molecular weight of 342.83 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 121317051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).