(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

C23H20FNO5 — CID 16538887

IUPAC(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)OCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C23H20FNO5/c1-28-21-7-3-6-19(13-21)25-22(26)15-29-20-10-8-17(9-11-20)23(27)30-14-16-4-2-5-18(24)12-16/h2-13H,14-15H2,1H3,(H,25,26)
InChIKeyKHBMXIOIHUGUJS-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.21
Rot. Bonds8

About (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 16538887) has the molecular formula C23H20FNO5 and a molecular weight of 409.41 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID16538887
Molecular FormulaC23H20FNO5
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)OCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C23H20FNO5/c1-28-21-7-3-6-19(13-21)25-22(26)15-29-20-10-8-17(9-11-20)23(27)30-14-16-4-2-5-18(24)12-16/h2-13H,14-15H2,1H3,(H,25,26)
InChIKeyKHBMXIOIHUGUJS-UHFFFAOYSA-N
XLogP4.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]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

methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate
CID 29405129
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
(3-fluorophenyl)methyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18229658
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 3453906
(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 2224729
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 29169567
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539004
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (CID 16538887) is (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is COc1cccc(NC(=O)COc2ccc(C(=O)OCc3cccc(F)c3)cc2)c1.
What is the InChIKey of (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is KHBMXIOIHUGUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO5/c1-28-21-7-3-6-19(13-21)25-22(26)15-29-20-10-8-17(9-11-20)23(27)30-14-16-4-2-5-18(24)12-16/h2-13H,14-15H2,1H3,(H,25,26).
What are the key properties of (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 409.41 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 16538887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).