2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide

C13H11ClN4O3 — CID 8893201

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COn1nnc2ccc(Cl)cc21)NCc1ccco1
InChIInChI=1S/C13H11ClN4O3/c14-9-3-4-11-12(6-9)18(17-16-11)21-8-13(19)15-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,15,19)
InChIKeyITLHWSKJYCRGKV-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.42
Rot. Bonds5

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

2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 8893201) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide
PubChem CID8893201
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COn1nnc2ccc(Cl)cc21)NCc1ccco1
InChIInChI=1S/C13H11ClN4O3/c14-9-3-4-11-12(6-9)18(17-16-11)21-8-13(19)15-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,15,19)
InChIKeyITLHWSKJYCRGKV-UHFFFAOYSA-N
XLogP1.42
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.42
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-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide (CID 8893201) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide is O=C(COn1nnc2ccc(Cl)cc21)NCc1ccco1.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ITLHWSKJYCRGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-9-3-4-11-12(6-9)18(17-16-11)21-8-13(19)15-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,15,19).
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 306.71 g/mol, XLogP of 1.42, 5 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 8893201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).