6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one

C21H22ClFN4O2 — CID 58467764

IUPAC6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(NCC(=O)N3CCN(c4ccc(Cl)c(F)c4)CC3)cc21
InChIInChI=1S/C21H22ClFN4O2/c1-25-19-11-15(3-2-14(19)10-20(25)28)24-13-21(29)27-8-6-26(7-9-27)16-4-5-17(22)18(23)12-16/h2-5,11-12,24H,6-10,13H2,1H3
InChIKeyRUONWEMNAQVLKG-UHFFFAOYSA-N
MW416.88 g/mol
LogP2.76
Rot. Bonds4

About 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one

6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one (PubChem CID 58467764) has the molecular formula C21H22ClFN4O2 and a molecular weight of 416.88 g/mol. Its IUPAC name is 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
PubChem CID58467764
Molecular FormulaC21H22ClFN4O2
Molecular Weight416.88 g/mol
Exact Mass416.14
IUPAC Name6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(NCC(=O)N3CCN(c4ccc(Cl)c(F)c4)CC3)cc21
InChIInChI=1S/C21H22ClFN4O2/c1-25-19-11-15(3-2-14(19)10-20(25)28)24-13-21(29)27-8-6-26(7-9-27)16-4-5-17(22)18(23)12-16/h2-5,11-12,24H,6-10,13H2,1H3
InChIKeyRUONWEMNAQVLKG-UHFFFAOYSA-N
XLogP2.76
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-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-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one (CID 58467764) is 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2ccc(NCC(=O)N3CCN(c4ccc(Cl)c(F)c4)CC3)cc21.
What is the InChIKey of 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
The InChIKey is RUONWEMNAQVLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O2/c1-25-19-11-15(3-2-14(19)10-20(25)28)24-13-21(29)27-8-6-26(7-9-27)16-4-5-17(22)18(23)12-16/h2-5,11-12,24H,6-10,13H2,1H3.
What are the key properties of 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one?
6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one has a molecular weight of 416.88 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 58467764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).