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

C24H19FN2O3 — CID 42340244

IUPAC(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-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(F)cc(-c4cccnc4)c3O2)c2ccccc21
InChIInChI=1S/C24H19FN2O3/c25-16-8-15-9-17(30-23(15)20(10-16)14-4-3-7-26-12-14)13-27-24(29)21-11-22(28)19-6-2-1-5-18(19)21/h1-8,10,12,17,21H,9,11,13H2,(H,27,29)/t17-,21-/m1/s1
InChIKeyOYJNDJWQMQRPOE-DYESRHJHSA-N
MW402.43 g/mol
LogP3.68
Rot. Bonds4

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

(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 42340244) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID42340244
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-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(F)cc(-c4cccnc4)c3O2)c2ccccc21
InChIInChI=1S/C24H19FN2O3/c25-16-8-15-9-17(30-23(15)20(10-16)14-4-3-7-26-12-14)13-27-24(29)21-11-22(28)19-6-2-1-5-18(19)21/h1-8,10,12,17,21H,9,11,13H2,(H,27,29)/t17-,21-/m1/s1
InChIKeyOYJNDJWQMQRPOE-DYESRHJHSA-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 (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-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

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
3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
CID 126462892
(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
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
N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide
CID 42340527
N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 26342022
N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 42371101
2-(3,4-difluorophenyl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45176529
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45168534
N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 42407346
N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methoxyphenyl)propanamide
CID 42436888
2-(cyclohexen-1-yl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45169128

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of (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) is (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-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(F)cc(-c4cccnc4)c3O2)c2ccccc21.
What is the InChIKey of (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is OYJNDJWQMQRPOE-DYESRHJHSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-16-8-15-9-17(30-23(15)20(10-16)14-4-3-7-26-12-14)13-27-24(29)21-11-22(28)19-6-2-1-5-18(19)21/h1-8,10,12,17,21H,9,11,13H2,(H,27,29)/t17-,21-/m1/s1.
What are the key properties of (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-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 (1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 42340244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).