[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

C18H15ClFNO5 — CID 8620033

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C18H15ClFNO5/c1-2-25-17(23)12-5-3-4-6-15(12)21-16(22)10-26-18(24)13-9-11(19)7-8-14(13)20/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyOWOKRVKKPNRZIS-UHFFFAOYSA-N
MW379.77 g/mol
LogP3.45
Rot. Bonds6

About [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (PubChem CID 8620033) has the molecular formula C18H15ClFNO5 and a molecular weight of 379.77 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
PubChem CID8620033
Molecular FormulaC18H15ClFNO5
Molecular Weight379.77 g/mol
Exact Mass379.06
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C18H15ClFNO5/c1-2-25-17(23)12-5-3-4-6-15(12)21-16(22)10-26-18(24)13-9-11(19)7-8-14(13)20/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyOWOKRVKKPNRZIS-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

[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
CID 7167831
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619878
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2425256
[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620176
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (CID 8620033) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The InChIKey is OWOKRVKKPNRZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO5/c1-2-25-17(23)12-5-3-4-6-15(12)21-16(22)10-26-18(24)13-9-11(19)7-8-14(13)20/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate 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 [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 8620033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).