[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate

C22H16ClFO4 — CID 23904435

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C22H16ClFO4/c23-19-7-3-1-5-16(19)13-27-21-8-4-2-6-18(21)22(26)28-14-20(25)15-9-11-17(24)12-10-15/h1-12H,13-14H2
InChIKeyYLZHDFLVUXBMEI-UHFFFAOYSA-N
MW398.82 g/mol
LogP5.10
Rot. Bonds7

About [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate (PubChem CID 23904435) has the molecular formula C22H16ClFO4 and a molecular weight of 398.82 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
PubChem CID23904435
Molecular FormulaC22H16ClFO4
Molecular Weight398.82 g/mol
Exact Mass398.07
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C22H16ClFO4/c23-19-7-3-1-5-16(19)13-27-21-8-4-2-6-18(21)22(26)28-14-20(25)15-9-11-17(24)12-10-15/h1-12H,13-14H2
InChIKeyYLZHDFLVUXBMEI-UHFFFAOYSA-N
XLogP5.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.82
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate 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-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 2594288
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 23822412
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42967136
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
phenacyl 2-phenylmethoxybenzoate
CID 2565163
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
[2-(2-bromophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 23768164
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 2594292

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate (CID 23904435) is [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate is O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
The InChIKey is YLZHDFLVUXBMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFO4/c23-19-7-3-1-5-16(19)13-27-21-8-4-2-6-18(21)22(26)28-14-20(25)15-9-11-17(24)12-10-15/h1-12H,13-14H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate has a molecular weight of 398.82 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 23904435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).