1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one

C19H16ClFN2O2 — CID 56904113

IUPAC1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H16ClFN2O2/c20-15-10-12(21)6-7-13(15)17(24)23-9-3-8-19(11-23)14-4-1-2-5-16(14)22-18(19)25/h1-2,4-7,10H,3,8-9,11H2,(H,22,25)
InChIKeySZSVOEULDXEUJX-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.61
Rot. Bonds1

About 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one

1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 56904113) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID56904113
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H16ClFN2O2/c20-15-10-12(21)6-7-13(15)17(24)23-9-3-8-19(11-23)14-4-1-2-5-16(14)22-18(19)25/h1-2,4-7,10H,3,8-9,11H2,(H,22,25)
InChIKeySZSVOEULDXEUJX-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95712790
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167896087
(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718659
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95716797
1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155956164
(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103581
1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938

Frequently Asked Questions

What is the IUPAC name of 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 56904113) is 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one is O=C(c1ccc(F)cc1Cl)N1CCCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is SZSVOEULDXEUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c20-15-10-12(21)6-7-13(15)17(24)23-9-3-8-19(11-23)14-4-1-2-5-16(14)22-18(19)25/h1-2,4-7,10H,3,8-9,11H2,(H,22,25).
What are the key properties of 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 358.80 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56904113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).