N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

C18H16ClN3O3 — CID 177233091

IUPACN-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCCO2)Nc1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H16ClN3O3/c19-12-3-4-14-13(10-12)18(22-21-14)20-17(23)9-11-2-5-15-16(8-11)25-7-1-6-24-15/h2-5,8,10H,1,6-7,9H2,(H2,20,21,22,23)
InChIKeyZBRAJBKYKZATRF-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.56
Rot. Bonds3

About N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide (PubChem CID 177233091) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
PubChem CID177233091
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCCO2)Nc1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H16ClN3O3/c19-12-3-4-14-13(10-12)18(22-21-14)20-17(23)9-11-2-5-15-16(8-11)25-7-1-6-24-15/h2-5,8,10H,1,6-7,9H2,(H2,20,21,22,23)
InChIKeyZBRAJBKYKZATRF-UHFFFAOYSA-N
XLogP3.56
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-[(1-methylpyrazol-4-yl)sulfonylamino]-1H-indazol-3-yl]acetamide
CID 177233441
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide
CID 142656167
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998
N-(7-chloro-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233484
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-[(E)-2-phenylethenyl]-1H-indazol-3-yl]acetamide;2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide;ethane;molecular hydrogen
CID 177233209
N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233182
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(4-methyl-1,3-thiazol-5-yl)-1H-indazol-3-yl]acetamide
CID 177233494

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
The IUPAC name of N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide (CID 177233091) is N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
The canonical SMILES for N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide is O=C(Cc1ccc2c(c1)OCCCO2)Nc1n[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
The InChIKey is ZBRAJBKYKZATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-12-3-4-14-13(10-12)18(22-21-14)20-17(23)9-11-2-5-15-16(8-11)25-7-1-6-24-15/h2-5,8,10H,1,6-7,9H2,(H2,20,21,22,23).
What are the key properties of N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide is sourced from PubChem (CID 177233091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).