5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide

C17H13F2NO3 — CID 111425569

IUPAC5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H13F2NO3/c18-12-3-1-10(2-4-12)14(21)9-20-17(22)16-8-11-7-13(19)5-6-15(11)23-16/h1-8,14,21H,9H2,(H,20,22)
InChIKeyPLGUVSMITHFZQL-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.17
Rot. Bonds4

About 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide

5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide (PubChem CID 111425569) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
PubChem CID111425569
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H13F2NO3/c18-12-3-1-10(2-4-12)14(21)9-20-17(22)16-8-11-7-13(19)5-6-15(11)23-16/h1-8,14,21H,9H2,(H,20,22)
InChIKeyPLGUVSMITHFZQL-UHFFFAOYSA-N
XLogP3.17
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978
5-bromo-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 110279904
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 49089493
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 111697870
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114736896
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide (CID 111425569) is 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide is O=C(NCC(O)c1ccc(F)cc1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The InChIKey is PLGUVSMITHFZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c18-12-3-1-10(2-4-12)14(21)9-20-17(22)16-8-11-7-13(19)5-6-15(11)23-16/h1-8,14,21H,9H2,(H,20,22).
What are the key properties of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111425569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).