2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide

C16H15ClN4O3 — CID 2115266

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN4O3/c1-2-23-15-6-4-3-5-13(15)18-16(22)10-24-21-14-9-11(17)7-8-12(14)19-20-21/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyDQXDLAKLHQRPNT-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.55
Rot. Bonds6

About 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide

2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide (PubChem CID 2115266) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide
PubChem CID2115266
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN4O3/c1-2-23-15-6-4-3-5-13(15)18-16(22)10-24-21-14-9-11(17)7-8-12(14)19-20-21/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyDQXDLAKLHQRPNT-UHFFFAOYSA-N
XLogP2.55
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide (CID 2115266) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide?
The InChIKey is DQXDLAKLHQRPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-2-23-15-6-4-3-5-13(15)18-16(22)10-24-21-14-9-11(17)7-8-12(14)19-20-21/h3-9H,2,10H2,1H3,(H,18,22).
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 2115266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).