methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate

C17H15ClN2O5 — CID 108802316

IUPACmethyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)CCOc2ccccc2Cl)c1C#N
InChIInChI=1S/C17H15ClN2O5/c1-10-15(17(22)23-2)11(9-19)16(25-10)20-14(21)7-8-24-13-6-4-3-5-12(13)18/h3-6H,7-8H2,1-2H3,(H,20,21)
InChIKeyWEBDPTVZNZKZAL-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.31
Rot. Bonds6

About methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate

methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate (PubChem CID 108802316) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate
PubChem CID108802316
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Namemethyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)CCOc2ccccc2Cl)c1C#N
InChIInChI=1S/C17H15ClN2O5/c1-10-15(17(22)23-2)11(9-19)16(25-10)20-14(21)7-8-24-13-6-4-3-5-12(13)18/h3-6H,7-8H2,1-2H3,(H,20,21)
InChIKeyWEBDPTVZNZKZAL-UHFFFAOYSA-N
XLogP3.31
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
methyl 5-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757356
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-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]furan-3-carboxylate
CID 108733987
methyl 4-cyano-2-methyl-5-(3-methylbutanoylamino)furan-3-carboxylate
CID 108757238
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
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
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate (CID 108802316) is methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NC(=O)CCOc2ccccc2Cl)c1C#N.
What is the InChIKey of methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate?
The InChIKey is WEBDPTVZNZKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-10-15(17(22)23-2)11(9-19)16(25-10)20-14(21)7-8-24-13-6-4-3-5-12(13)18/h3-6H,7-8H2,1-2H3,(H,20,21).
What are the key properties of methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate?
methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate has a molecular weight of 362.77 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108802316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).