[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

C18H16ClN3O3 — CID 2534514

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c19-13-7-5-12(6-8-13)9-10-20-16(23)11-25-18(24)17-14-3-1-2-4-15(14)21-22-17/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyXDSZTTTWXJIRLU-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.73
Rot. Bonds6

About [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2534514) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2534514
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c19-13-7-5-12(6-8-13)9-10-20-16(23)11-25-18(24)17-14-3-1-2-4-15(14)21-22-17/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyXDSZTTTWXJIRLU-UHFFFAOYSA-N
XLogP2.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2534514) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is XDSZTTTWXJIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-13-7-5-12(6-8-13)9-10-20-16(23)11-25-18(24)17-14-3-1-2-4-15(14)21-22-17/h1-8H,9-11H2,(H,20,23)(H,21,22).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 357.80 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2534514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).