[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate

C17H15ClFNO5 — CID 2515992

IUPAC[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO5/c1-23-13-4-3-5-14(24-2)16(13)17(22)25-9-15(21)20-12-7-6-10(19)8-11(12)18/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyLMBLBFUNXRAQCI-UHFFFAOYSA-N
MW367.76 g/mol
LogP3.29
Rot. Bonds6

About [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 2515992) has the molecular formula C17H15ClFNO5 and a molecular weight of 367.76 g/mol. Its IUPAC name is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID2515992
Molecular FormulaC17H15ClFNO5
Molecular Weight367.76 g/mol
Exact Mass367.06
IUPAC Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO5/c1-23-13-4-3-5-14(24-2)16(13)17(22)25-9-15(21)20-12-7-6-10(19)8-11(12)18/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyLMBLBFUNXRAQCI-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

Analyze [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate with MolForge

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Related Compounds

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] 2,3,6-trichlorobenzoate
CID 2578802
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536241
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064694
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8612544
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926732
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538331
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502457
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate (CID 2515992) is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is LMBLBFUNXRAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO5/c1-23-13-4-3-5-14(24-2)16(13)17(22)25-9-15(21)20-12-7-6-10(19)8-11(12)18/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate 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 [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2515992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).