5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H19FN2O3 — CID 75372981

IUPAC5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C19H19FN2O3/c20-15-6-7-16-14(11-15)12-17(25-16)19(24)22-9-8-21-18(23)10-13-4-2-1-3-5-13/h1-7,11,17H,8-10,12H2,(H,21,23)(H,22,24)
InChIKeyDVUZNJXTBTXJGL-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.60
Rot. Bonds6

About 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 75372981) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID75372981
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C19H19FN2O3/c20-15-6-7-16-14(11-15)12-17(25-16)19(24)22-9-8-21-18(23)10-13-4-2-1-3-5-13/h1-7,11,17H,8-10,12H2,(H,21,23)(H,22,24)
InChIKeyDVUZNJXTBTXJGL-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477277
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111447538
5-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111485862
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154835434
5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111696357
(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-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111697479
(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-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 75372981) is 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Cc1ccccc1)NCCNC(=O)C1Cc2cc(F)ccc2O1.
What is the InChIKey of 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DVUZNJXTBTXJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-6-7-16-14(11-15)12-17(25-16)19(24)22-9-8-21-18(23)10-13-4-2-1-3-5-13/h1-7,11,17H,8-10,12H2,(H,21,23)(H,22,24).
What are the key properties of 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 75372981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).