(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate

C21H20ClFN2O4 — CID 9318888

IUPAC(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
SMILESO=C(Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2O4/c22-15-6-9-17(21(28)29-13-19(26)25-10-2-1-3-11-25)18(12-15)24-20(27)14-4-7-16(23)8-5-14/h4-9,12H,1-3,10-11,13H2,(H,24,27)
InChIKeyYVYMSAMZUNZOTM-UHFFFAOYSA-N
MW418.85 g/mol
LogP3.90
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate

(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate (PubChem CID 9318888) has the molecular formula C21H20ClFN2O4 and a molecular weight of 418.85 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
PubChem CID9318888
Molecular FormulaC21H20ClFN2O4
Molecular Weight418.85 g/mol
Exact Mass418.11
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
SMILESO=C(Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2O4/c22-15-6-9-17(21(28)29-13-19(26)25-10-2-1-3-11-25)18(12-15)24-20(27)14-4-7-16(23)8-5-14/h4-9,12H,1-3,10-11,13H2,(H,24,27)
InChIKeyYVYMSAMZUNZOTM-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate with MolForge

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879714
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 9318757
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
CID 2725420
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 23800585
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553372
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18202293
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate (CID 9318888) is (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate is O=C(Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
The InChIKey is YVYMSAMZUNZOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O4/c22-15-6-9-17(21(28)29-13-19(26)25-10-2-1-3-11-25)18(12-15)24-20(27)14-4-7-16(23)8-5-14/h4-9,12H,1-3,10-11,13H2,(H,24,27).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate has a molecular weight of 418.85 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 9318888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).