[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

C22H20Cl2F2N2O4 — CID 46816240

IUPAC[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H20Cl2F2N2O4/c1-12(20(29)27-19-10-14(23)2-5-17(19)24)32-22(31)13-6-8-28(9-7-13)21(30)16-4-3-15(25)11-18(16)26/h2-5,10-13H,6-9H2,1H3,(H,27,29)
InChIKeyABKNGKBUFMDYMP-UHFFFAOYSA-N
MW485.31 g/mol
LogP4.69
Rot. Bonds5

About [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (PubChem CID 46816240) has the molecular formula C22H20Cl2F2N2O4 and a molecular weight of 485.31 g/mol. Its IUPAC name is [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
PubChem CID46816240
Molecular FormulaC22H20Cl2F2N2O4
Molecular Weight485.31 g/mol
Exact Mass484.08
IUPAC Name[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H20Cl2F2N2O4/c1-12(20(29)27-19-10-14(23)2-5-17(19)24)32-22(31)13-6-8-28(9-7-13)21(30)16-4-3-15(25)11-18(16)26/h2-5,10-13H,6-9H2,1H3,(H,27,29)
InChIKeyABKNGKBUFMDYMP-UHFFFAOYSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 46622660
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059349
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529440
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 42979106
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 8940433
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 55375713
[1-(4-chloroanilino)-1-oxopropan-2-yl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394696
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635136
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635137
[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2358382
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (CID 46816240) is [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is CC(OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is ABKNGKBUFMDYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F2N2O4/c1-12(20(29)27-19-10-14(23)2-5-17(19)24)32-22(31)13-6-8-28(9-7-13)21(30)16-4-3-15(25)11-18(16)26/h2-5,10-13H,6-9H2,1H3,(H,27,29).
What are the key properties of [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 485.31 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 46816240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).