5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide

C15H14FNO3 — CID 111697167

IUPAC5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H14FNO3/c16-11-2-4-13-10(6-11)7-14(20-13)15(19)17-12-3-1-9(5-12)8-18/h1-4,6-7,9,12,18H,5,8H2,(H,17,19)/t9-,12+/m0/s1
InChIKeyZSAFOKIICAPWOA-JOYOIKCWSA-N
MW275.28 g/mol
LogP2.24
Rot. Bonds3

About 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide

5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 111697167) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
PubChem CID111697167
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H14FNO3/c16-11-2-4-13-10(6-11)7-14(20-13)15(19)17-12-3-1-9(5-12)8-18/h1-4,6-7,9,12,18H,5,8H2,(H,17,19)/t9-,12+/m0/s1
InChIKeyZSAFOKIICAPWOA-JOYOIKCWSA-N
XLogP2.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661565
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
7-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111696730
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
CID 111661805
2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111697111
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 111696910
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
1-[2-(2,4-difluorophenyl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631011
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
CID 111697126
4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide
CID 132970516
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 126783424

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide (CID 111697167) is 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is ZSAFOKIICAPWOA-JOYOIKCWSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-11-2-4-13-10(6-11)7-14(20-13)15(19)17-12-3-1-9(5-12)8-18/h1-4,6-7,9,12,18H,5,8H2,(H,17,19)/t9-,12+/m0/s1.
What are the key properties of 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide?
5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111697167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).