N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide

C21H24FNO — CID 166367622

IUPACN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(F)c(C(=O)NCCC2CCc3ccccc32)c1
InChIInChI=1S/C21H24FNO/c1-14(2)17-9-10-20(22)19(13-17)21(24)23-12-11-16-8-7-15-5-3-4-6-18(15)16/h3-6,9-10,13-14,16H,7-8,11-12H2,1-2H3,(H,23,24)
InChIKeyKVUKPMCQQNNWRL-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.80
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide

N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide (PubChem CID 166367622) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide
PubChem CID166367622
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(F)c(C(=O)NCCC2CCc3ccccc32)c1
InChIInChI=1S/C21H24FNO/c1-14(2)17-9-10-20(22)19(13-17)21(24)23-12-11-16-8-7-15-5-3-4-6-18(15)16/h3-6,9-10,13-14,16H,7-8,11-12H2,1-2H3,(H,23,24)
InChIKeyKVUKPMCQQNNWRL-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 717912
N-(4-phenylbutyl)benzamide
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CID 745660
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide (CID 166367622) is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide is CC(C)c1ccc(F)c(C(=O)NCCC2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide?
The InChIKey is KVUKPMCQQNNWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-14(2)17-9-10-20(22)19(13-17)21(24)23-12-11-16-8-7-15-5-3-4-6-18(15)16/h3-6,9-10,13-14,16H,7-8,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide?
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide has a molecular weight of 325.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide is sourced from PubChem (CID 166367622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).