N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide

C21H22FNO2 — CID 166367608

IUPACN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide
SMILESCCC(=O)c1cc(C(=O)NCCC2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H22FNO2/c1-2-20(24)18-13-16(9-10-19(18)22)21(25)23-12-11-15-8-7-14-5-3-4-6-17(14)15/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H,23,25)
InChIKeyNQNXSRHHVGACPT-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide

N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide (PubChem CID 166367608) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide
PubChem CID166367608
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide
SMILESCCC(=O)c1cc(C(=O)NCCC2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H22FNO2/c1-2-20(24)18-13-16(9-10-19(18)22)21(25)23-12-11-15-8-7-14-5-3-4-6-17(14)15/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H,23,25)
InChIKeyNQNXSRHHVGACPT-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide (CID 166367608) is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide is CCC(=O)c1cc(C(=O)NCCC2CCc3ccccc32)ccc1F.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide?
The InChIKey is NQNXSRHHVGACPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-2-20(24)18-13-16(9-10-19(18)22)21(25)23-12-11-15-8-7-14-5-3-4-6-17(14)15/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide?
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide has a molecular weight of 339.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide is sourced from PubChem (CID 166367608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).