5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide

C20H20FNO3 — CID 95769418

IUPAC5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)N[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C20H20FNO3/c21-14-9-7-13(8-10-14)18(23)4-2-6-20(25)22-17-12-11-16-15(17)3-1-5-19(16)24/h1,3,5,7-10,17,24H,2,4,6,11-12H2,(H,22,25)/t17-/m1/s1
InChIKeyFPDOJRNELYABBW-QGZVFWFLSA-N
MW341.38 g/mol
LogP3.69
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide

5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide (PubChem CID 95769418) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
PubChem CID95769418
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)N[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C20H20FNO3/c21-14-9-7-13(8-10-14)18(23)4-2-6-20(25)22-17-12-11-16-15(17)3-1-5-19(16)24/h1,3,5,7-10,17,24H,2,4,6,11-12H2,(H,22,25)/t17-/m1/s1
InChIKeyFPDOJRNELYABBW-QGZVFWFLSA-N
XLogP3.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 95622362
4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 86835368
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 95146524
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 86937510
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95626542
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide
CID 95630466
1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637015

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide (CID 95769418) is 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide is O=C(CCCC(=O)c1ccc(F)cc1)N[C@@H]1CCc2c(O)cccc21.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide?
The InChIKey is FPDOJRNELYABBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-14-9-7-13(8-10-14)18(23)4-2-6-20(25)22-17-12-11-16-15(17)3-1-5-19(16)24/h1,3,5,7-10,17,24H,2,4,6,11-12H2,(H,22,25)/t17-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide?
5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide has a molecular weight of 341.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide is sourced from PubChem (CID 95769418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).