5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H16FNO3 — CID 111477277

IUPAC5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1CO)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H16FNO3/c18-14-5-6-15-13(7-14)8-16(22-15)17(21)19-9-11-3-1-2-4-12(11)10-20/h1-7,16,20H,8-10H2,(H,19,21)
InChIKeySWMDXOGMSAQYCP-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.94
Rot. Bonds4

About 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111477277) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111477277
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1CO)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H16FNO3/c18-14-5-6-15-13(7-14)8-16(22-15)17(21)19-9-11-3-1-2-4-12(11)10-20/h1-7,16,20H,8-10H2,(H,19,21)
InChIKeySWMDXOGMSAQYCP-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155
(2R)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705156
5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 75372981
1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 126774314
5-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111485862
5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111447538
5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111697479
5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111696357
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96541205

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111477277) is 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1CO)C1Cc2cc(F)ccc2O1.
What is the InChIKey of 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is SWMDXOGMSAQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-14-5-6-15-13(7-14)8-16(22-15)17(21)19-9-11-3-1-2-4-12(11)10-20/h1-7,16,20H,8-10H2,(H,19,21).
What are the key properties of 5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 1.94, 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-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111477277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).