[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C17H17ClN2O4 — CID 2386420

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)Nc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c18-12-4-3-5-13(10-12)20-16(22)11-24-17(23)14-6-1-2-7-15(14)19-8-9-21/h1-7,10,19,21H,8-9,11H2,(H,20,22)
InChIKeyOYEJMBCVXNFMHX-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.54
Rot. Bonds7

About [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 2386420) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID2386420
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)Nc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c18-12-4-3-5-13(10-12)20-16(22)11-24-17(23)14-6-1-2-7-15(14)19-8-9-21/h1-7,10,19,21H,8-9,11H2,(H,20,22)
InChIKeyOYEJMBCVXNFMHX-UHFFFAOYSA-N
XLogP2.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955708
[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602381
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602604
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955722
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
[2-(3-chloroanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916172
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542848
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602415

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 2386420) is [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is O=C(COC(=O)c1ccccc1NCCO)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is OYEJMBCVXNFMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c18-12-4-3-5-13(10-12)20-16(22)11-24-17(23)14-6-1-2-7-15(14)19-8-9-21/h1-7,10,19,21H,8-9,11H2,(H,20,22).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 348.79 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 2386420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).