5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one

C21H24ClFN2O2 — CID 18518661

IUPAC5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one
SMILESCCN(CC)CCCN1C(=O)C(O)(c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C21H24ClFN2O2/c1-3-24(4-2)12-7-13-25-19-11-10-15(22)14-17(19)21(27,20(25)26)16-8-5-6-9-18(16)23/h5-6,8-11,14,27H,3-4,7,12-13H2,1-2H3
InChIKeyHKNRPGYWOUTBDF-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.79
Rot. Bonds7

About 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one

5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one (PubChem CID 18518661) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one.

Molecular Properties

Compound Name5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one
PubChem CID18518661
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one
SMILESCCN(CC)CCCN1C(=O)C(O)(c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C21H24ClFN2O2/c1-3-24(4-2)12-7-13-25-19-11-10-15(22)14-17(19)21(27,20(25)26)16-8-5-6-9-18(16)23/h5-6,8-11,14,27H,3-4,7,12-13H2,1-2H3
InChIKeyHKNRPGYWOUTBDF-UHFFFAOYSA-N
XLogP3.79
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
The IUPAC name of 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one (CID 18518661) is 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one.
What is the SMILES notation for 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
The canonical SMILES for 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one is CCN(CC)CCCN1C(=O)C(O)(c2ccccc2F)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
The InChIKey is HKNRPGYWOUTBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-3-24(4-2)12-7-13-25-19-11-10-15(22)14-17(19)21(27,20(25)26)16-8-5-6-9-18(16)23/h5-6,8-11,14,27H,3-4,7,12-13H2,1-2H3.
What are the key properties of 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one has a molecular weight of 390.89 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-(diethylamino)propyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one is sourced from PubChem (CID 18518661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).