diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate

C18H17ClFNO6 — CID 108739440

IUPACdiethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2c(F)cccc2Cl)c1C(=O)OCC
InChIInChI=1S/C18H17ClFNO6/c1-4-25-17(23)12-9(3)27-16(14(12)18(24)26-5-2)21-15(22)13-10(19)7-6-8-11(13)20/h6-8H,4-5H2,1-3H3,(H,21,22)
InChIKeyXNYKGGMIXZRKKW-UHFFFAOYSA-N
MW397.79 g/mol
LogP3.99
Rot. Bonds6

About diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate

diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate (PubChem CID 108739440) has the molecular formula C18H17ClFNO6 and a molecular weight of 397.79 g/mol. Its IUPAC name is diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
PubChem CID108739440
Molecular FormulaC18H17ClFNO6
Molecular Weight397.79 g/mol
Exact Mass397.07
IUPAC Namediethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2c(F)cccc2Cl)c1C(=O)OCC
InChIInChI=1S/C18H17ClFNO6/c1-4-25-17(23)12-9(3)27-16(14(12)18(24)26-5-2)21-15(22)13-10(19)7-6-8-11(13)20/h6-8H,4-5H2,1-3H3,(H,21,22)
InChIKeyXNYKGGMIXZRKKW-UHFFFAOYSA-N
XLogP3.99
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate
CID 15582695
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 28693708
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785
diethyl 2-methyl-5-[(2,2,2-trichloroacetyl)amino]furan-3,4-dicarboxylate
CID 108739417

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate (CID 108739440) is diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(=O)c2c(F)cccc2Cl)c1C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate?
The InChIKey is XNYKGGMIXZRKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO6/c1-4-25-17(23)12-9(3)27-16(14(12)18(24)26-5-2)21-15(22)13-10(19)7-6-8-11(13)20/h6-8H,4-5H2,1-3H3,(H,21,22).
What are the key properties of diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate?
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate has a molecular weight of 397.79 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 108739440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).