5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide

C13H16ClNO3 — CID 91776367

IUPAC5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide
SMILESCC[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C13H16ClNO3/c1-2-7-11(8-5-6-17-12(7)8)15-13(16)9-3-4-10(14)18-9/h3-4,7-8,11-12H,2,5-6H2,1H3,(H,15,16)/t7-,8+,11+,12-/m1/s1
InChIKeyWGYYVYXWCYHIDB-UFGYURQFSA-N
MW269.73 g/mol
LogP2.48
Rot. Bonds3

About 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide

5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide (PubChem CID 91776367) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide
PubChem CID91776367
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide
SMILESCC[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C13H16ClNO3/c1-2-7-11(8-5-6-17-12(7)8)15-13(16)9-3-4-10(14)18-9/h3-4,7-8,11-12H,2,5-6H2,1H3,(H,15,16)/t7-,8+,11+,12-/m1/s1
InChIKeyWGYYVYXWCYHIDB-UFGYURQFSA-N
XLogP2.48
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide (CID 91776367) is 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide is CC[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]2CCO[C@H]12.
What is the InChIKey of 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide?
The InChIKey is WGYYVYXWCYHIDB-UFGYURQFSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-2-7-11(8-5-6-17-12(7)8)15-13(16)9-3-4-10(14)18-9/h3-4,7-8,11-12H,2,5-6H2,1H3,(H,15,16)/t7-,8+,11+,12-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide?
5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide is sourced from PubChem (CID 91776367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).