N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

C16H14FNO2 — CID 146132730

IUPACN-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H14FNO2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,18,19)
InChIKeyJZYBGHNXTHEEAF-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.45
Rot. Bonds3

About N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 146132730) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID146132730
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H14FNO2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,18,19)
InChIKeyJZYBGHNXTHEEAF-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477277
5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 75372981
(2R)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705156
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155
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
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
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
1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 126774314
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 146132730) is N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1)C1Cc2cc(F)ccc2O1.
What is the InChIKey of N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JZYBGHNXTHEEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,18,19).
What are the key properties of N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 271.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 146132730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).