7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide

C15H16FNO4 — CID 111486301

IUPAC7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H16FNO4/c16-11-3-1-2-10-8-12(21-13(10)11)14(18)17-9-15(19)4-6-20-7-5-15/h1-3,8,19H,4-7,9H2,(H,17,18)
InChIKeySGKGVJFVUPZXCI-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.84
Rot. Bonds3

About 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide

7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 111486301) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID111486301
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H16FNO4/c16-11-3-1-2-10-8-12(21-13(10)11)14(18)17-9-15(19)4-6-20-7-5-15/h1-3,8,19H,4-7,9H2,(H,17,18)
InChIKeySGKGVJFVUPZXCI-UHFFFAOYSA-N
XLogP1.84
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827
2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 104919925
(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
CID 114726210
7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 111698284
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
4-[2-(2-fluorophenyl)ethynyl]-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 162688811
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 111486301) is 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide is O=C(NCC1(O)CCOCC1)c1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SGKGVJFVUPZXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-11-3-1-2-10-8-12(21-13(10)11)14(18)17-9-15(19)4-6-20-7-5-15/h1-3,8,19H,4-7,9H2,(H,17,18).
What are the key properties of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide?
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111486301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).