[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate

C17H14ClN3O3 — CID 69060604

IUPAC[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12
InChIInChI=1S/C17H14ClN3O3/c1-10(22)24-9-16(23)19-17-14-6-5-12(8-15(14)20-21-17)11-3-2-4-13(18)7-11/h2-8H,9H2,1H3,(H2,19,20,21,23)
InChIKeyPWACMAUYXVSPBT-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.38
Rot. Bonds4

About [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate

[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate (PubChem CID 69060604) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
PubChem CID69060604
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12
InChIInChI=1S/C17H14ClN3O3/c1-10(22)24-9-16(23)19-17-14-6-5-12(8-15(14)20-21-17)11-3-2-4-13(18)7-11/h2-8H,9H2,1H3,(H2,19,20,21,23)
InChIKeyPWACMAUYXVSPBT-UHFFFAOYSA-N
XLogP3.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69064232
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide
CID 69059474
2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69061802
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
CID 162667220
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603
N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
CID 69064173
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
CID 69065402
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
CID 22319566

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate (CID 69060604) is [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12.
What is the InChIKey of [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The InChIKey is PWACMAUYXVSPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10(22)24-9-16(23)19-17-14-6-5-12(8-15(14)20-21-17)11-3-2-4-13(18)7-11/h2-8H,9H2,1H3,(H2,19,20,21,23).
What are the key properties of [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate has a molecular weight of 343.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 69060604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).