3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide

C24H22FNO — CID 58276428

IUPAC3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CCC3Cc4ccc(F)cc4C3)cc2)c1
InChIInChI=1S/C24H22FNO/c25-23-11-10-20-12-17(13-22(20)15-23)5-4-16-6-8-18(9-7-16)19-2-1-3-21(14-19)24(26)27/h1-3,6-11,14-15,17H,4-5,12-13H2,(H2,26,27)
InChIKeySPTRQHMOVAMGAQ-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.94
Rot. Bonds5

About 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide

3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide (PubChem CID 58276428) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide
PubChem CID58276428
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CCC3Cc4ccc(F)cc4C3)cc2)c1
InChIInChI=1S/C24H22FNO/c25-23-11-10-20-12-17(13-22(20)15-23)5-4-16-6-8-18(9-7-16)19-2-1-3-21(14-19)24(26)27/h1-3,6-11,14-15,17H,4-5,12-13H2,(H2,26,27)
InChIKeySPTRQHMOVAMGAQ-UHFFFAOYSA-N
XLogP4.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide?
The IUPAC name of 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide (CID 58276428) is 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(CCC3Cc4ccc(F)cc4C3)cc2)c1.
What is the InChIKey of 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide?
The InChIKey is SPTRQHMOVAMGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO/c25-23-11-10-20-12-17(13-22(20)15-23)5-4-16-6-8-18(9-7-16)19-2-1-3-21(14-19)24(26)27/h1-3,6-11,14-15,17H,4-5,12-13H2,(H2,26,27).
What are the key properties of 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide?
3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide has a molecular weight of 359.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 58276428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).