2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide

C19H17ClN4O2 — CID 11234003

IUPAC2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide
SMILESO=C(Cc1ccc(-n2nnc3cccc(Cl)c3c2=O)cc1)NC1CCC1
InChIInChI=1S/C19H17ClN4O2/c20-15-5-2-6-16-18(15)19(26)24(23-22-16)14-9-7-12(8-10-14)11-17(25)21-13-3-1-4-13/h2,5-10,13H,1,3-4,11H2,(H,21,25)
InChIKeyVVUHYANBTZTRSI-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide

2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide (PubChem CID 11234003) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide
PubChem CID11234003
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide
SMILESO=C(Cc1ccc(-n2nnc3cccc(Cl)c3c2=O)cc1)NC1CCC1
InChIInChI=1S/C19H17ClN4O2/c20-15-5-2-6-16-18(15)19(26)24(23-22-16)14-9-7-12(8-10-14)11-17(25)21-13-3-1-4-13/h2,5-10,13H,1,3-4,11H2,(H,21,25)
InChIKeyVVUHYANBTZTRSI-UHFFFAOYSA-N
XLogP2.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide?
The IUPAC name of 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide (CID 11234003) is 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide?
The canonical SMILES for 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide is O=C(Cc1ccc(-n2nnc3cccc(Cl)c3c2=O)cc1)NC1CCC1.
What is the InChIKey of 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide?
The InChIKey is VVUHYANBTZTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-5-2-6-16-18(15)19(26)24(23-22-16)14-9-7-12(8-10-14)11-17(25)21-13-3-1-4-13/h2,5-10,13H,1,3-4,11H2,(H,21,25).
What are the key properties of 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide?
2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide has a molecular weight of 368.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide is sourced from PubChem (CID 11234003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).