(1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide

C24H19FN2O3 — CID 26339810

IUPAC(1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1C[C@H](C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc21
InChIInChI=1S/C24H19FN2O3/c25-20-11-14(21-7-3-4-8-26-21)9-15-10-16(30-23(15)20)13-27-24(29)19-12-22(28)18-6-2-1-5-17(18)19/h1-9,11,16,19H,10,12-13H2,(H,27,29)/t16-,19-/m0/s1
InChIKeyWDCBFRIUJLFSAA-LPHOPBHVSA-N
MW402.43 g/mol
LogP3.68
Rot. Bonds4

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

(1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 26339810) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID26339810
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name(1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1C[C@H](C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc21
InChIInChI=1S/C24H19FN2O3/c25-20-11-14(21-7-3-4-8-26-21)9-15-10-16(30-23(15)20)13-27-24(29)19-12-22(28)18-6-2-1-5-17(18)19/h1-9,11,16,19H,10,12-13H2,(H,27,29)/t16-,19-/m0/s1
InChIKeyWDCBFRIUJLFSAA-LPHOPBHVSA-N
XLogP3.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(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
1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 25364335
3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
CID 126462892
N-[[5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 45206860
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45168534
2,6-difluoro-N-[[(2R)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42317883
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26276594
2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45178081
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45183138
2,2-dimethyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42319769
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757001

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide (CID 26339810) is (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide is O=C1C[C@H](C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc21.
What is the InChIKey of (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is WDCBFRIUJLFSAA-LPHOPBHVSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-20-11-14(21-7-3-4-8-26-21)9-15-10-16(30-23(15)20)13-27-24(29)19-12-22(28)18-6-2-1-5-17(18)19/h1-9,11,16,19H,10,12-13H2,(H,27,29)/t16-,19-/m0/s1.
What are the key properties of (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
(1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 26339810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).