7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide

C15H17FN2O3 — CID 122555918

IUPAC7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H17FN2O3/c1-18-7-11(13(8-18)20-2)17-15(19)12-6-9-4-3-5-10(16)14(9)21-12/h3-6,11,13H,7-8H2,1-2H3,(H,17,19)/t11-,13-/m0/s1
InChIKeyHRDINCDQOWQHFX-AAEUAGOBSA-N
MW292.31 g/mol
LogP1.63
Rot. Bonds3

About 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide

7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 122555918) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID122555918
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H17FN2O3/c1-18-7-11(13(8-18)20-2)17-15(19)12-6-9-4-3-5-10(16)14(9)21-12/h3-6,11,13H,7-8H2,1-2H3,(H,17,19)/t11-,13-/m0/s1
InChIKeyHRDINCDQOWQHFX-AAEUAGOBSA-N
XLogP1.63
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide (CID 122555918) is 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide is CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is HRDINCDQOWQHFX-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-18-7-11(13(8-18)20-2)17-15(19)12-6-9-4-3-5-10(16)14(9)21-12/h3-6,11,13H,7-8H2,1-2H3,(H,17,19)/t11-,13-/m0/s1.
What are the key properties of 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122555918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).