N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide

C16H14FNO — CID 2112003

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccccc1F
InChIInChI=1S/C16H14FNO/c17-15-7-2-1-6-14(15)16(19)18-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H,18,19)
InChIKeyUTGKVWWQUXHNRC-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.57
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide

N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide (PubChem CID 2112003) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide
PubChem CID2112003
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccccc1F
InChIInChI=1S/C16H14FNO/c17-15-7-2-1-6-14(15)16(19)18-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H,18,19)
InChIKeyUTGKVWWQUXHNRC-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide (CID 2112003) is N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide is O=C(Nc1ccc2c(c1)CCC2)c1ccccc1F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide?
The InChIKey is UTGKVWWQUXHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-7-2-1-6-14(15)16(19)18-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide has a molecular weight of 255.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 2112003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).