N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide

C25H19FN2O2 — CID 42407346

IUPACN-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2ccccc2c1
InChIInChI=1S/C25H19FN2O2/c26-23-13-20(19-6-3-9-27-14-19)11-21-12-22(30-24(21)23)15-28-25(29)18-8-7-16-4-1-2-5-17(16)10-18/h1-11,13-14,22H,12,15H2,(H,28,29)/t22-/m1/s1
InChIKeyRVWBIYWORDDQQY-JOCHJYFZSA-N
MW398.44 g/mol
LogP4.77
Rot. Bonds4

About N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide

N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide (PubChem CID 42407346) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
PubChem CID42407346
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC NameN-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2ccccc2c1
InChIInChI=1S/C25H19FN2O2/c26-23-13-20(19-6-3-9-27-14-19)11-21-12-22(30-24(21)23)15-28-25(29)18-8-7-16-4-1-2-5-17(16)10-18/h1-11,13-14,22H,12,15H2,(H,28,29)/t22-/m1/s1
InChIKeyRVWBIYWORDDQQY-JOCHJYFZSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide with MolForge

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Related Compounds

N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26279242
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757001
N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42480603
N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 126463398
N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazine-2-carboxamide
CID 45181979
N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide
CID 42340527
N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 42190161
N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45167267
(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 42340244
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45167431
N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 42339954
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide (CID 42407346) is N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide is O=C(NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is RVWBIYWORDDQQY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H19FN2O2/c26-23-13-20(19-6-3-9-27-14-19)11-21-12-22(30-24(21)23)15-28-25(29)18-8-7-16-4-1-2-5-17(16)10-18/h1-11,13-14,22H,12,15H2,(H,28,29)/t22-/m1/s1.
What are the key properties of N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide?
N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42407346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).