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

C15H11ClN2O4 — CID 108757254

IUPACmethyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H11ClN2O4/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)
InChIKeyHMJCNSJSUAZIOA-UHFFFAOYSA-N
MW318.72 g/mol
LogP3.15
Rot. Bonds3

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

methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate (PubChem CID 108757254) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
PubChem CID108757254
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC Namemethyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H11ClN2O4/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)
InChIKeyHMJCNSJSUAZIOA-UHFFFAOYSA-N
XLogP3.15
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932
methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108802316
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 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
CID 108762895
methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
CID 4318316
methyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108733889
methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
CID 108774291

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate (CID 108757254) is methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NC(=O)c2ccccc2Cl)c1C#N.
What is the InChIKey of methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The InChIKey is HMJCNSJSUAZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/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 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate has a molecular weight of 318.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108757254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).