N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide

C24H29N3O — CID 23819300

IUPACN-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C24H29N3O/c28-23(25-24-12-15-9-16(13-24)11-17(10-15)14-24)19-6-2-1-5-18(19)22-20-7-3-4-8-21(20)26-27-22/h1-2,5-6,15-17H,3-4,7-14H2,(H,25,28)(H,26,27)
InChIKeyZDZOWNVXOSBYEO-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.65
Rot. Bonds3

About N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide

N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (PubChem CID 23819300) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
PubChem CID23819300
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C24H29N3O/c28-23(25-24-12-15-9-16(13-24)11-17(10-15)14-24)19-6-2-1-5-18(19)22-20-7-3-4-8-21(20)26-27-22/h1-2,5-6,15-17H,3-4,7-14H2,(H,25,28)(H,26,27)
InChIKeyZDZOWNVXOSBYEO-UHFFFAOYSA-N
XLogP4.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23855057
N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23935930
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 2291853
N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide
CID 68962155
(2S)-N-(1-adamantyl)-2-cyano-3-oxo-1H-indene-2-carboxamide
CID 177395011
N-[1-oxo-3-phenyl-1-[2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazinyl]propan-2-yl]adamantane-1-carboxamide
CID 167852254
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 55115521
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantyl)-9-aminoacridine-4-carboxamide
CID 10361870
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
N-(1-adamantyl)-4-(aminomethyl)benzamide;hydrochloride
CID 119261555

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The IUPAC name of N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (CID 23819300) is N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The canonical SMILES for N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The InChIKey is ZDZOWNVXOSBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-23(25-24-12-15-9-16(13-24)11-17(10-15)14-24)19-6-2-1-5-18(19)22-20-7-3-4-8-21(20)26-27-22/h1-2,5-6,15-17H,3-4,7-14H2,(H,25,28)(H,26,27).
What are the key properties of N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide has a molecular weight of 375.52 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 23819300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).