N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide

C24H24ClN5O3 — CID 58885546

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide
SMILESO=C(NC1CC2CCC1C2)c1cc(Oc2c(Cl)cc(-c3nn[nH]n3)c3c2CCC3)ccc1O
InChIInChI=1S/C24H24ClN5O3/c25-19-11-17(23-27-29-30-28-23)15-2-1-3-16(15)22(19)33-14-6-7-21(31)18(10-14)24(32)26-20-9-12-4-5-13(20)8-12/h6-7,10-13,20,31H,1-5,8-9H2,(H,26,32)(H,27,28,29,30)
InChIKeySWTNPSASMCLWRC-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.43
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide

N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide (PubChem CID 58885546) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide
PubChem CID58885546
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide
SMILESO=C(NC1CC2CCC1C2)c1cc(Oc2c(Cl)cc(-c3nn[nH]n3)c3c2CCC3)ccc1O
InChIInChI=1S/C24H24ClN5O3/c25-19-11-17(23-27-29-30-28-23)15-2-1-3-16(15)22(19)33-14-6-7-21(31)18(10-14)24(32)26-20-9-12-4-5-13(20)8-12/h6-7,10-13,20,31H,1-5,8-9H2,(H,26,32)(H,27,28,29,30)
InChIKeySWTNPSASMCLWRC-UHFFFAOYSA-N
XLogP4.43
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide (CID 58885546) is N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide is O=C(NC1CC2CCC1C2)c1cc(Oc2c(Cl)cc(-c3nn[nH]n3)c3c2CCC3)ccc1O.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide?
The InChIKey is SWTNPSASMCLWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c25-19-11-17(23-27-29-30-28-23)15-2-1-3-16(15)22(19)33-14-6-7-21(31)18(10-14)24(32)26-20-9-12-4-5-13(20)8-12/h6-7,10-13,20,31H,1-5,8-9H2,(H,26,32)(H,27,28,29,30).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide has a molecular weight of 465.94 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-[[5-chloro-7-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-4-yl]oxy]-2-hydroxybenzamide is sourced from PubChem (CID 58885546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).