ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate

C13H14ClN3O3 — CID 166403884

IUPACethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2ccc(NC(=O)CCl)cc21
InChIInChI=1S/C13H14ClN3O3/c1-2-20-13(19)8-17-11-5-10(16-12(18)6-14)4-3-9(11)7-15-17/h3-5,7H,2,6,8H2,1H3,(H,16,18)
InChIKeyOGJZGYDWRCQXSY-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.78
Rot. Bonds5

About ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate

ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate (PubChem CID 166403884) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate
PubChem CID166403884
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Nameethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2ccc(NC(=O)CCl)cc21
InChIInChI=1S/C13H14ClN3O3/c1-2-20-13(19)8-17-11-5-10(16-12(18)6-14)4-3-9(11)7-15-17/h3-5,7H,2,6,8H2,1H3,(H,16,18)
InChIKeyOGJZGYDWRCQXSY-UHFFFAOYSA-N
XLogP1.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylindazol-6-yl)-2-(methylamino)acetamide;hydrochloride
CID 119752857
ethyl 2-[6-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]carbamoylamino]indazol-1-yl]acetate
CID 95153712
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
CID 166404074
N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151510
2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 22693446
N-(1-ethylindazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 47083910
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
methyl 2-(5-methylindazol-1-yl)acetate
CID 13337773
ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
CID 71869717
2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride
CID 119305696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate?
The IUPAC name of ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate (CID 166403884) is ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate is CCOC(=O)Cn1ncc2ccc(NC(=O)CCl)cc21.
What is the InChIKey of ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate?
The InChIKey is OGJZGYDWRCQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-2-20-13(19)8-17-11-5-10(16-12(18)6-14)4-3-9(11)7-15-17/h3-5,7H,2,6,8H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate?
ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate has a molecular weight of 295.73 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate is sourced from PubChem (CID 166403884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).