5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one

C20H22ClFN2O2 — CID 66618335

IUPAC5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one
SMILESCOc1cc2c(cc1Cl)C(CCCN(C)C)(c1ccccc1F)C(=O)N2
InChIInChI=1S/C20H22ClFN2O2/c1-24(2)10-6-9-20(13-7-4-5-8-16(13)22)14-11-15(21)18(26-3)12-17(14)23-19(20)25/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,23,25)
InChIKeyZZZPMUUTHMBSJS-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.07
Rot. Bonds6

About 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one

5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one (PubChem CID 66618335) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one
PubChem CID66618335
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one
SMILESCOc1cc2c(cc1Cl)C(CCCN(C)C)(c1ccccc1F)C(=O)N2
InChIInChI=1S/C20H22ClFN2O2/c1-24(2)10-6-9-20(13-7-4-5-8-16(13)22)14-11-15(21)18(26-3)12-17(14)23-19(20)25/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,23,25)
InChIKeyZZZPMUUTHMBSJS-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15521777
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CID 53176952
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CID 53177058
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CID 53177165
CID 53177165
CID 53177271
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CID 53057396
CID 53057396
CID 53057405
CID 53057405
CID 132454646
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CID 19860752
CID 19860752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one (CID 66618335) is 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one is COc1cc2c(cc1Cl)C(CCCN(C)C)(c1ccccc1F)C(=O)N2.
What is the InChIKey of 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
The InChIKey is ZZZPMUUTHMBSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-24(2)10-6-9-20(13-7-4-5-8-16(13)22)14-11-15(21)18(26-3)12-17(14)23-19(20)25/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,23,25).
What are the key properties of 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one has a molecular weight of 376.86 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one is sourced from PubChem (CID 66618335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).