[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate

C22H17ClFNO4 — CID 18209174

IUPAC[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C22H17ClFNO4/c23-19-12-17(24)8-11-20(19)25-21(26)14-29-22(27)16-6-9-18(10-7-16)28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26)
InChIKeyVYTVLUFMHRYWTD-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.85
Rot. Bonds7

About [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 18209174) has the molecular formula C22H17ClFNO4 and a molecular weight of 413.83 g/mol. Its IUPAC name is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID18209174
Molecular FormulaC22H17ClFNO4
Molecular Weight413.83 g/mol
Exact Mass413.08
IUPAC Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C22H17ClFNO4/c23-19-12-17(24)8-11-20(19)25-21(26)14-29-22(27)16-6-9-18(10-7-16)28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26)
InChIKeyVYTVLUFMHRYWTD-UHFFFAOYSA-N
XLogP4.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate 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-chloro-4-fluoroanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538331
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506531
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986241
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193460
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35165548
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064694
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536241
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7284277
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-cyanoacetyl)amino]benzoate
CID 4790190

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate (CID 18209174) is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate is O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is VYTVLUFMHRYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO4/c23-19-12-17(24)8-11-20(19)25-21(26)14-29-22(27)16-6-9-18(10-7-16)28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26).
What are the key properties of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 413.83 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 18209174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).