N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide

C20H26FNO3 — CID 143989196

IUPACN-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide
SMILESCCCC(=O)NC(=O)C(C)C1=CC2=C(C1)CC(F)C(C(=O)CCC)=C2
InChIInChI=1S/C20H26FNO3/c1-4-6-18(23)16-10-14-8-13(9-15(14)11-17(16)21)12(3)20(25)22-19(24)7-5-2/h8,10,12,17H,4-7,9,11H2,1-3H3,(H,22,24,25)
InChIKeyLUJGMHIZKIOFHG-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide

N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide (PubChem CID 143989196) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide
PubChem CID143989196
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide
SMILESCCCC(=O)NC(=O)C(C)C1=CC2=C(C1)CC(F)C(C(=O)CCC)=C2
InChIInChI=1S/C20H26FNO3/c1-4-6-18(23)16-10-14-8-13(9-15(14)11-17(16)21)12(3)20(25)22-19(24)7-5-2/h8,10,12,17H,4-7,9,11H2,1-3H3,(H,22,24,25)
InChIKeyLUJGMHIZKIOFHG-UHFFFAOYSA-N
XLogP3.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide?
The IUPAC name of N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide (CID 143989196) is N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide.
What is the SMILES notation for N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide?
The canonical SMILES for N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide is CCCC(=O)NC(=O)C(C)C1=CC2=C(C1)CC(F)C(C(=O)CCC)=C2.
What is the InChIKey of N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide?
The InChIKey is LUJGMHIZKIOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c1-4-6-18(23)16-10-14-8-13(9-15(14)11-17(16)21)12(3)20(25)22-19(24)7-5-2/h8,10,12,17H,4-7,9,11H2,1-3H3,(H,22,24,25).
What are the key properties of N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide?
N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide has a molecular weight of 347.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide is sourced from PubChem (CID 143989196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).