[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate

C17H11Cl2F2NO4 — CID 8653025

IUPAC[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C17H11Cl2F2NO4/c1-8(23)22-9-2-3-10(14(20)4-9)16(24)7-26-17(25)11-5-15(21)13(19)6-12(11)18/h2-6H,7H2,1H3,(H,22,23)
InChIKeyPZRJQEABRFBMNU-UHFFFAOYSA-N
MW402.18 g/mol
LogP4.27
Rot. Bonds5

About [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate

[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate (PubChem CID 8653025) has the molecular formula C17H11Cl2F2NO4 and a molecular weight of 402.18 g/mol. Its IUPAC name is [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
PubChem CID8653025
Molecular FormulaC17H11Cl2F2NO4
Molecular Weight402.18 g/mol
Exact Mass401.00
IUPAC Name[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C17H11Cl2F2NO4/c1-8(23)22-9-2-3-10(14(20)4-9)16(24)7-26-17(25)11-5-15(21)13(19)6-12(11)18/h2-6H,7H2,1H3,(H,22,23)
InChIKeyPZRJQEABRFBMNU-UHFFFAOYSA-N
XLogP4.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate 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

[2-(4-acetamidophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8650177
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9460457
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649155
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8627145
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 46819418
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 17421913
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570088
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2565957
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate
CID 126187635
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8949061

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
The IUPAC name of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate (CID 8653025) is [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate.
What is the SMILES notation for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
The canonical SMILES for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate is CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)c(F)c1.
What is the InChIKey of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
The InChIKey is PZRJQEABRFBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2NO4/c1-8(23)22-9-2-3-10(14(20)4-9)16(24)7-26-17(25)11-5-15(21)13(19)6-12(11)18/h2-6H,7H2,1H3,(H,22,23).
What are the key properties of [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate has a molecular weight of 402.18 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate is sourced from PubChem (CID 8653025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).