N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide

C14H13FN2O4 — CID 164630453

IUPACN-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide
SMILESNC(=O)[C@]1(NC(=O)c2coc3cc(F)ccc23)CCOC1
InChIInChI=1S/C14H13FN2O4/c15-8-1-2-9-10(6-21-11(9)5-8)12(18)17-14(13(16)19)3-4-20-7-14/h1-2,5-6H,3-4,7H2,(H2,16,19)(H,17,18)/t14-/m0/s1
InChIKeyXRROKVDPLODDMM-AWEZNQCLSA-N
MW292.27 g/mol
LogP0.95
Rot. Bonds3

About N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide

N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide (PubChem CID 164630453) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide
PubChem CID164630453
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC NameN-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide
SMILESNC(=O)[C@]1(NC(=O)c2coc3cc(F)ccc23)CCOC1
InChIInChI=1S/C14H13FN2O4/c15-8-1-2-9-10(6-21-11(9)5-8)12(18)17-14(13(16)19)3-4-20-7-14/h1-2,5-6H,3-4,7H2,(H2,16,19)(H,17,18)/t14-/m0/s1
InChIKeyXRROKVDPLODDMM-AWEZNQCLSA-N
XLogP0.95
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide (CID 164630453) is N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide is NC(=O)[C@]1(NC(=O)c2coc3cc(F)ccc23)CCOC1.
What is the InChIKey of N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide?
The InChIKey is XRROKVDPLODDMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13FN2O4/c15-8-1-2-9-10(6-21-11(9)5-8)12(18)17-14(13(16)19)3-4-20-7-14/h1-2,5-6H,3-4,7H2,(H2,16,19)(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide?
N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide has a molecular weight of 292.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 164630453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).