methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate

C17H15ClFNO5 — CID 7704925

IUPACmethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO5/c1-23-11-4-5-12(17(22)24-2)15(8-11)25-9-16(21)20-14-6-3-10(19)7-13(14)18/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeySGUZNMOCRAJMRL-UHFFFAOYSA-N
MW367.76 g/mol
LogP3.29
Rot. Bonds6

About methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate

methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate (PubChem CID 7704925) has the molecular formula C17H15ClFNO5 and a molecular weight of 367.76 g/mol. Its IUPAC name is methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
PubChem CID7704925
Molecular FormulaC17H15ClFNO5
Molecular Weight367.76 g/mol
Exact Mass367.06
IUPAC Namemethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO5/c1-23-11-4-5-12(17(22)24-2)15(8-11)25-9-16(21)20-14-6-3-10(19)7-13(14)18/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeySGUZNMOCRAJMRL-UHFFFAOYSA-N
XLogP3.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085795
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 18777215
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515992
[2-(2,5-difluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2503995
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506531
N-(2-chloro-4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878049
N-(4-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 60970761

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate (CID 7704925) is methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate?
The InChIKey is SGUZNMOCRAJMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO5/c1-23-11-4-5-12(17(22)24-2)15(8-11)25-9-16(21)20-14-6-3-10(19)7-13(14)18/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate?
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate has a molecular weight of 367.76 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate is sourced from PubChem (CID 7704925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).