N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C21H22FNO — CID 60574244

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NC1CCc2cc(F)ccc21
InChIInChI=1S/C21H22FNO/c22-18-8-9-19-17(13-18)7-10-20(19)23-21(24)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-6,8-9,11,13,20H,1-4,7,10,12H2,(H,23,24)
InChIKeyMOYVUEQBCYDCQY-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.05
Rot. Bonds3

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 60574244) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID60574244
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NC1CCc2cc(F)ccc21
InChIInChI=1S/C21H22FNO/c22-18-8-9-19-17(13-18)7-10-20(19)23-21(24)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-6,8-9,11,13,20H,1-4,7,10,12H2,(H,23,24)
InChIKeyMOYVUEQBCYDCQY-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 60574244) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(Cc1ccc2c(c1)CCCC2)NC1CCc2cc(F)ccc21.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is MOYVUEQBCYDCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c22-18-8-9-19-17(13-18)7-10-20(19)23-21(24)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-6,8-9,11,13,20H,1-4,7,10,12H2,(H,23,24).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 323.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 60574244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).