ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate

C18H16F2N2O7 — CID 9203357

IUPACethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2c(F)cccc2F)c1C(N)=O
InChIInChI=1S/C18H16F2N2O7/c1-3-27-17(25)12-8(2)29-16(14(12)15(21)24)22-11(23)7-28-18(26)13-9(19)5-4-6-10(13)20/h4-6H,3,7H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyCDFPRCMUCXQOLX-UHFFFAOYSA-N
MW410.33 g/mol
LogP1.94
Rot. Bonds7

About ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate (PubChem CID 9203357) has the molecular formula C18H16F2N2O7 and a molecular weight of 410.33 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
PubChem CID9203357
Molecular FormulaC18H16F2N2O7
Molecular Weight410.33 g/mol
Exact Mass410.09
IUPAC Nameethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2c(F)cccc2F)c1C(N)=O
InChIInChI=1S/C18H16F2N2O7/c1-3-27-17(25)12-8(2)29-16(14(12)15(21)24)22-11(23)7-28-18(26)13-9(19)5-4-6-10(13)20/h4-6H,3,7H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyCDFPRCMUCXQOLX-UHFFFAOYSA-N
XLogP1.94
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9229093
[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8644159
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-carbamoyl-2-methyl-5-[[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate
CID 8885678
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
ethyl 4-carbamoyl-5-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9201262
ethyl 4-carbamoyl-2-methyl-5-[(5-oxo-5-phenylpentanoyl)amino]furan-3-carboxylate
CID 108733760
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 108757037
ethyl 4-carbamoyl-5-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 8566868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate (CID 9203357) is ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2c(F)cccc2F)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
The InChIKey is CDFPRCMUCXQOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O7/c1-3-27-17(25)12-8(2)29-16(14(12)15(21)24)22-11(23)7-28-18(26)13-9(19)5-4-6-10(13)20/h4-6H,3,7H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate has a molecular weight of 410.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 9203357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).