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

C15H11FN2O4 — CID 108757235

IUPACmethyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2ccccc2F)c1C#N
InChIInChI=1S/C15H11FN2O4/c1-8-12(15(20)21-2)10(7-17)14(22-8)18-13(19)9-5-3-4-6-11(9)16/h3-6H,1-2H3,(H,18,19)
InChIKeyLSVINEWOBHTUHA-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.64
Rot. Bonds3

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

methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate (PubChem CID 108757235) has the molecular formula C15H11FN2O4 and a molecular weight of 302.26 g/mol. Its IUPAC name is methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
PubChem CID108757235
Molecular FormulaC15H11FN2O4
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Namemethyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2ccccc2F)c1C#N
InChIInChI=1S/C15H11FN2O4/c1-8-12(15(20)21-2)10(7-17)14(22-8)18-13(19)9-5-3-4-6-11(9)16/h3-6H,1-2H3,(H,18,19)
InChIKeyLSVINEWOBHTUHA-UHFFFAOYSA-N
XLogP2.64
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
CID 108762895
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
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
methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108802316
methyl 4-cyano-2-methyl-5-(3-methylbutanoylamino)furan-3-carboxylate
CID 108757238

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate (CID 108757235) is methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NC(=O)c2ccccc2F)c1C#N.
What is the InChIKey of methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate?
The InChIKey is LSVINEWOBHTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4/c1-8-12(15(20)21-2)10(7-17)14(22-8)18-13(19)9-5-3-4-6-11(9)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate?
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate has a molecular weight of 302.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108757235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).