ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate

C17H15ClFNO4 — CID 7694748

IUPACethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO4/c1-2-23-17(22)12-5-3-4-6-15(12)24-10-16(21)20-14-8-7-11(19)9-13(14)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyITNDBLPSFNFLCK-UHFFFAOYSA-N
MW351.76 g/mol
LogP3.67
Rot. Bonds6

About ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate

ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate (PubChem CID 7694748) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
PubChem CID7694748
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Nameethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO4/c1-2-23-17(22)12-5-3-4-6-15(12)24-10-16(21)20-14-8-7-11(19)9-13(14)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyITNDBLPSFNFLCK-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
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
N-(2-chloro-4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878049
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704925
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926732
N-(4-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 60970761
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851792
methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972
ethyl 1-[2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 8979092
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
CID 7167831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate (CID 7694748) is ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate is CCOC(=O)c1ccccc1OCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate?
The InChIKey is ITNDBLPSFNFLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-2-23-17(22)12-5-3-4-6-15(12)24-10-16(21)20-14-8-7-11(19)9-13(14)18/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate?
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate 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 ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7694748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).