ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate

C18H17ClN2O5 — CID 3505157

IUPACethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2N)ccc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-2-25-18(24)13-9-11(7-8-14(13)19)21-16(22)10-26-17(23)12-5-3-4-6-15(12)20/h3-9H,2,10,20H2,1H3,(H,21,22)
InChIKeyWOWNCHMAYYWZGB-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.89
Rot. Bonds6

About ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate

ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate (PubChem CID 3505157) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Nameethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate
PubChem CID3505157
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Nameethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2N)ccc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-2-25-18(24)13-9-11(7-8-14(13)19)21-16(22)10-26-17(23)12-5-3-4-6-15(12)20/h3-9H,2,10,20H2,1H3,(H,21,22)
InChIKeyWOWNCHMAYYWZGB-UHFFFAOYSA-N
XLogP2.89
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
CID 3531979
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624378
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542848
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylbenzoate
CID 7718016
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823510
propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
CID 3400030

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate?
The IUPAC name of ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate (CID 3505157) is ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate.
What is the SMILES notation for ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate?
The canonical SMILES for ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate is CCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2N)ccc1Cl.
What is the InChIKey of ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate?
The InChIKey is WOWNCHMAYYWZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-2-25-18(24)13-9-11(7-8-14(13)19)21-16(22)10-26-17(23)12-5-3-4-6-15(12)20/h3-9H,2,10,20H2,1H3,(H,21,22).
What are the key properties of ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate?
ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate has a molecular weight of 376.80 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate is sourced from PubChem (CID 3505157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).