7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H15F2NO3 — CID 111566101

IUPAC7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)C1Cc2cccc(F)c2O1
InChIInChI=1S/C17H15F2NO3/c18-12-6-2-1-5-11(12)14(21)9-20-17(22)15-8-10-4-3-7-13(19)16(10)23-15/h1-7,14-15,21H,8-9H2,(H,20,22)
InChIKeyGDIMTDNJISVATQ-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.12
Rot. Bonds4

About 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111566101) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111566101
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)C1Cc2cccc(F)c2O1
InChIInChI=1S/C17H15F2NO3/c18-12-6-2-1-5-11(12)14(21)9-20-17(22)15-8-10-4-3-7-13(19)16(10)23-15/h1-7,14-15,21H,8-9H2,(H,20,22)
InChIKeyGDIMTDNJISVATQ-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111478299
7-fluoro-N-(4-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111480596
(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124589604
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110004473
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477188
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126780932
7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 71998756
(3R)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 124588211
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111479215
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 71999419

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111566101) is 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC(O)c1ccccc1F)C1Cc2cccc(F)c2O1.
What is the InChIKey of 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GDIMTDNJISVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-12-6-2-1-5-11(12)14(21)9-20-17(22)15-8-10-4-3-7-13(19)16(10)23-15/h1-7,14-15,21H,8-9H2,(H,20,22).
What are the key properties of 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111566101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).