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

C17H15ClFNO4 — CID 2353347

IUPAC[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H15ClFNO4/c1-2-23-15-6-4-3-5-12(15)17(22)24-10-16(21)20-14-8-7-11(18)9-13(14)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyRGKJCVWUENTBEV-UHFFFAOYSA-N
MW351.76 g/mol
LogP3.67
Rot. Bonds6

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

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 2353347) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID2353347
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H15ClFNO4/c1-2-23-15-6-4-3-5-12(15)17(22)24-10-16(21)20-14-8-7-11(18)9-13(14)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyRGKJCVWUENTBEV-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607719
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472435
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823562
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2356553
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2662062

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate (CID 2353347) is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is RGKJCVWUENTBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-2-23-15-6-4-3-5-12(15)17(22)24-10-16(21)20-14-8-7-11(18)9-13(14)19/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 351.76 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 2353347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).