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

C16H13F2NO — CID 4134110

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2NO/c17-13-6-12(7-14(18)9-13)16(20)19-15-5-4-10-2-1-3-11(10)8-15/h4-9H,1-3H2,(H,19,20)
InChIKeyGYXFKHFHBSAPNZ-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.71
Rot. Bonds2

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

N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide (PubChem CID 4134110) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
PubChem CID4134110
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2NO/c17-13-6-12(7-14(18)9-13)16(20)19-15-5-4-10-2-1-3-11(10)8-15/h4-9H,1-3H2,(H,19,20)
InChIKeyGYXFKHFHBSAPNZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.71
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)-3,5-difluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide (CID 4134110) is N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide is O=C(Nc1ccc2c(c1)CCC2)c1cc(F)cc(F)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide?
The InChIKey is GYXFKHFHBSAPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-6-12(7-14(18)9-13)16(20)19-15-5-4-10-2-1-3-11(10)8-15/h4-9H,1-3H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide?
N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide has a molecular weight of 273.28 g/mol, XLogP of 3.71, 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)-3,5-difluorobenzamide is sourced from PubChem (CID 4134110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).