methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate

C15H10ClFN2O4 — CID 108733932

IUPACmethyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2c(F)cccc2Cl)c1C#N
InChIInChI=1S/C15H10ClFN2O4/c1-7-11(15(21)22-2)8(6-18)14(23-7)19-13(20)12-9(16)4-3-5-10(12)17/h3-5H,1-2H3,(H,19,20)
InChIKeyLNILCYHSXKFOLY-UHFFFAOYSA-N
MW336.71 g/mol
LogP3.29
Rot. Bonds3

About methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate

methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate (PubChem CID 108733932) has the molecular formula C15H10ClFN2O4 and a molecular weight of 336.71 g/mol. Its IUPAC name is methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
PubChem CID108733932
Molecular FormulaC15H10ClFN2O4
Molecular Weight336.71 g/mol
Exact Mass336.03
IUPAC Namemethyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2c(F)cccc2Cl)c1C#N
InChIInChI=1S/C15H10ClFN2O4/c1-7-11(15(21)22-2)8(6-18)14(23-7)19-13(20)12-9(16)4-3-5-10(12)17/h3-5H,1-2H3,(H,19,20)
InChIKeyLNILCYHSXKFOLY-UHFFFAOYSA-N
XLogP3.29
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108802316
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
CID 108762895
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108733889
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
CID 108774291
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate (CID 108733932) is methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NC(=O)c2c(F)cccc2Cl)c1C#N.
What is the InChIKey of methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The InChIKey is LNILCYHSXKFOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O4/c1-7-11(15(21)22-2)8(6-18)14(23-7)19-13(20)12-9(16)4-3-5-10(12)17/h3-5H,1-2H3,(H,19,20).
What are the key properties of methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate has a molecular weight of 336.71 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108733932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).