[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate

C17H17ClN2O4 — CID 7472435

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C17H17ClN2O4/c1-2-23-15-6-4-3-5-14(15)20-16(21)10-24-17(22)12-9-11(18)7-8-13(12)19/h3-9H,2,10,19H2,1H3,(H,20,21)
InChIKeyBORLXSRDVQJYHS-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.12
Rot. Bonds6

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate (PubChem CID 7472435) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
PubChem CID7472435
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C17H17ClN2O4/c1-2-23-15-6-4-3-5-14(15)20-16(21)10-24-17(22)12-9-11(18)7-8-13(12)19/h3-9H,2,10,19H2,1H3,(H,20,21)
InChIKeyBORLXSRDVQJYHS-UHFFFAOYSA-N
XLogP3.12
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149321
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[2-(2-ethoxyanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387802
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
[2-(4-ethylanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472473
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472397
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate (CID 7472435) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate is CCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate?
The InChIKey is BORLXSRDVQJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-2-23-15-6-4-3-5-14(15)20-16(21)10-24-17(22)12-9-11(18)7-8-13(12)19/h3-9H,2,10,19H2,1H3,(H,20,21).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate has a molecular weight of 348.79 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate is sourced from PubChem (CID 7472435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).