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

C22H21N3O3 — CID 2291853

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C22H21N3O3/c26-22(23-14-9-10-19-20(13-14)28-12-11-27-19)16-6-2-1-5-15(16)21-17-7-3-4-8-18(17)24-25-21/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,23,26)(H,24,25)
InChIKeyUHDRJCZXBAINFL-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.98
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (PubChem CID 2291853) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
PubChem CID2291853
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C22H21N3O3/c26-22(23-14-9-10-19-20(13-14)28-12-11-27-19)16-6-2-1-5-15(16)21-17-7-3-4-8-18(17)24-25-21/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,23,26)(H,24,25)
InChIKeyUHDRJCZXBAINFL-UHFFFAOYSA-N
XLogP3.98
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23938464
N-(2-hydroxyethyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23855057
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide
CID 9360404
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585407
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
CID 36653806
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
CID 118986724
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (CID 2291853) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The InChIKey is UHDRJCZXBAINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(23-14-9-10-19-20(13-14)28-12-11-27-19)16-6-2-1-5-15(16)21-17-7-3-4-8-18(17)24-25-21/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,23,26)(H,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 2291853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).