N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide

C23H23Cl4N3O2 — CID 71456897

IUPACN-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1
InChIInChI=1S/C23H23Cl4N3O2/c1-2-30-7-5-13(6-8-30)9-20(31)29-23(14-3-4-16(25)17(26)10-14)21-18(27)11-15(24)12-19(21)28-22(23)32/h3-4,10-13H,2,5-9H2,1H3,(H,28,32)(H,29,31)
InChIKeyRYVLJWQSUMPPDS-UHFFFAOYSA-N
MW515.27 g/mol
LogP5.73
Rot. Bonds5

About N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide

N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 71456897) has the molecular formula C23H23Cl4N3O2 and a molecular weight of 515.27 g/mol. Its IUPAC name is N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
PubChem CID71456897
Molecular FormulaC23H23Cl4N3O2
Molecular Weight515.27 g/mol
Exact Mass513.05
IUPAC NameN-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1
InChIInChI=1S/C23H23Cl4N3O2/c1-2-30-7-5-13(6-8-30)9-20(31)29-23(14-3-4-16(25)17(26)10-14)21-18(27)11-15(24)12-19(21)28-22(23)32/h3-4,10-13H,2,5-9H2,1H3,(H,28,32)(H,29,31)
InChIKeyRYVLJWQSUMPPDS-UHFFFAOYSA-N
XLogP5.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.27
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Spiro-oxindole, 1
CID 11351960
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11653869
3-{4-[4-(3-Chloro-4-methylphenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24854037
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854273
(3~{s},3'~{s},4'~{s})-4'-Azanyl-6-Chloranyl-3'-(3-Chlorophenyl)-1'-(2,2-Dimethylpropyl)spiro[1~{h}-Indole-3,2'-Pyrrolidine]-2-One
CID 122198471
3-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854371
1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methylbutyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
CID 44433276
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dimethyl-1,3-dihydro-indol-2-one
CID 9799491
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-diethyl-1,3-dihydro-indol-2-one
CID 9887092
5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854040
5-Chloro-3-{4-[4-(4-chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-indol-2-one
CID 24854044
3-{3-[4-(3-chlorophenyl)-piperazin-1-yl]-propyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24854109

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide (CID 71456897) is N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1.
What is the InChIKey of N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is RYVLJWQSUMPPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl4N3O2/c1-2-30-7-5-13(6-8-30)9-20(31)29-23(14-3-4-16(25)17(26)10-14)21-18(27)11-15(24)12-19(21)28-22(23)32/h3-4,10-13H,2,5-9H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide?
N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 515.27 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 71456897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).