[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate

C17H13ClFNO5 — CID 2501220

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO5/c1-24-16(22)10-5-2-3-8-13(10)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyGLMDEPAPDDXLKO-UHFFFAOYSA-N
MW365.74 g/mol
LogP3.06
Rot. Bonds5

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 2501220) has the molecular formula C17H13ClFNO5 and a molecular weight of 365.74 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID2501220
Molecular FormulaC17H13ClFNO5
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO5/c1-24-16(22)10-5-2-3-8-13(10)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyGLMDEPAPDDXLKO-UHFFFAOYSA-N
XLogP3.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820428
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 2501220) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1c(F)cccc1Cl.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is GLMDEPAPDDXLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO5/c1-24-16(22)10-5-2-3-8-13(10)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 365.74 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 2501220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).