N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide

C14H18FNO2 — CID 141128990

IUPACN-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
SMILESCCCCC(=O)NC1c2ccc(F)cc2CC1O
InChIInChI=1S/C14H18FNO2/c1-2-3-4-13(18)16-14-11-6-5-10(15)7-9(11)8-12(14)17/h5-7,12,14,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyAFPLYGTWUYXAKI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.09
Rot. Bonds4

About N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide

N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide (PubChem CID 141128990) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
PubChem CID141128990
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
SMILESCCCCC(=O)NC1c2ccc(F)cc2CC1O
InChIInChI=1S/C14H18FNO2/c1-2-3-4-13(18)16-14-11-6-5-10(15)7-9(11)8-12(14)17/h5-7,12,14,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyAFPLYGTWUYXAKI-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
The IUPAC name of N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide (CID 141128990) is N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
The canonical SMILES for N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide is CCCCC(=O)NC1c2ccc(F)cc2CC1O.
What is the InChIKey of N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
The InChIKey is AFPLYGTWUYXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-3-4-13(18)16-14-11-6-5-10(15)7-9(11)8-12(14)17/h5-7,12,14,17H,2-4,8H2,1H3,(H,16,18).
What are the key properties of N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide has a molecular weight of 251.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide is sourced from PubChem (CID 141128990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).