5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one

C21H20ClN3O3 — CID 57334366

IUPAC5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13(26)14-2-4-16(5-3-14)24-6-8-25(9-7-24)21(28)17-10-15-11-20(27)23-19(15)12-18(17)22/h2-5,10,12H,6-9,11H2,1H3,(H,23,27)
InChIKeySJALZDPIWXNURX-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.00
Rot. Bonds3

About 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one

5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 57334366) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID57334366
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13(26)14-2-4-16(5-3-14)24-6-8-25(9-7-24)21(28)17-10-15-11-20(27)23-19(15)12-18(17)22/h2-5,10,12H,6-9,11H2,1H3,(H,23,27)
InChIKeySJALZDPIWXNURX-UHFFFAOYSA-N
XLogP3.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 110414687
1-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 2524336
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
7-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one
CID 22548480
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
CID 27674642
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44825291

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one (CID 57334366) is 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one is CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cc1.
What is the InChIKey of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is SJALZDPIWXNURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13(26)14-2-4-16(5-3-14)24-6-8-25(9-7-24)21(28)17-10-15-11-20(27)23-19(15)12-18(17)22/h2-5,10,12H,6-9,11H2,1H3,(H,23,27).
What are the key properties of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one?
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 397.86 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 57334366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).