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

C18H19FN2O3 — CID 154835434

IUPAC5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(CO)Cc1cccnc1)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H19FN2O3/c19-15-3-4-16-14(7-15)8-17(24-16)18(23)21-10-13(11-22)6-12-2-1-5-20-9-12/h1-5,7,9,13,17,22H,6,8,10-11H2,(H,21,23)
InChIKeyDHGOCRIBLTYACW-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.49
Rot. Bonds6

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

5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 154835434) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID154835434
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(CO)Cc1cccnc1)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H19FN2O3/c19-15-3-4-16-14(7-15)8-17(24-16)18(23)21-10-13(11-22)6-12-2-1-5-20-9-12/h1-5,7,9,13,17,22H,6,8,10-11H2,(H,21,23)
InChIKeyDHGOCRIBLTYACW-UHFFFAOYSA-N
XLogP1.49
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 75372981
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111447538
5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477277
tert-butyl (2R)-2-[[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]carbamoyl]azetidine-1-carboxylate
CID 122152765
5-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111485862
1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 126774314
(2R)-N-[(2S)-2-benzyl-3-hydroxypropyl]-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 95772100
5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 126779485
2-[3-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569905
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 154835434) is 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC(CO)Cc1cccnc1)C1Cc2cc(F)ccc2O1.
What is the InChIKey of 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DHGOCRIBLTYACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-3-4-16-14(7-15)8-17(24-16)18(23)21-10-13(11-22)6-12-2-1-5-20-9-12/h1-5,7,9,13,17,22H,6,8,10-11H2,(H,21,23).
What are the key properties of 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 154835434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).