ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate

C18H15ClFNO5 — CID 3531979

IUPACethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C18H15ClFNO5/c1-2-25-18(24)14-9-13(7-8-15(14)19)21-16(22)10-26-17(23)11-3-5-12(20)6-4-11/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyKEULPAMDFZHQAD-UHFFFAOYSA-N
MW379.77 g/mol
LogP3.45
Rot. Bonds6

About ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate

ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate (PubChem CID 3531979) has the molecular formula C18H15ClFNO5 and a molecular weight of 379.77 g/mol. Its IUPAC name is ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
PubChem CID3531979
Molecular FormulaC18H15ClFNO5
Molecular Weight379.77 g/mol
Exact Mass379.06
IUPAC Nameethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C18H15ClFNO5/c1-2-25-18(24)14-9-13(7-8-15(14)19)21-16(22)10-26-17(23)11-3-5-12(20)6-4-11/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyKEULPAMDFZHQAD-UHFFFAOYSA-N
XLogP3.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
CID 3400030
ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate
CID 3505157
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823510
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
5-[[2-(4-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoic acid
CID 23887618
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749602
[2-(4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349809
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570088

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate (CID 3531979) is ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate is CCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is KEULPAMDFZHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO5/c1-2-25-18(24)14-9-13(7-8-15(14)19)21-16(22)10-26-17(23)11-3-5-12(20)6-4-11/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 379.77 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 3531979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).