N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide

C16H13F2NO2 — CID 60598957

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H13F2NO2/c17-11-7-13(18)15(14(20)8-11)16(21)19-12-5-4-9-2-1-3-10(9)6-12/h4-8,20H,1-3H2,(H,19,21)
InChIKeyQTBZXYZEDWCCRG-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.41
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide

N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide (PubChem CID 60598957) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide
PubChem CID60598957
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H13F2NO2/c17-11-7-13(18)15(14(20)8-11)16(21)19-12-5-4-9-2-1-3-10(9)6-12/h4-8,20H,1-3H2,(H,19,21)
InChIKeyQTBZXYZEDWCCRG-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 71936135
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 63187596
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861751
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
CID 60599109
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38735899

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide (CID 60598957) is N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide is O=C(Nc1ccc2c(c1)CCC2)c1c(O)cc(F)cc1F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is QTBZXYZEDWCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-11-7-13(18)15(14(20)8-11)16(21)19-12-5-4-9-2-1-3-10(9)6-12/h4-8,20H,1-3H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide?
N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 289.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 60598957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).