3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

C15H10ClN3O2 — CID 2714491

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
SMILESO=C(Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-11-7-5-10(6-8-11)14(20)9-19-15(21)12-3-1-2-4-13(12)17-18-19/h1-8H,9H2
InChIKeyHGFRJIFHAUXMQL-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.33
Rot. Bonds3

About 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one (PubChem CID 2714491) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
PubChem CID2714491
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
SMILESO=C(Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-11-7-5-10(6-8-11)14(20)9-19-15(21)12-3-1-2-4-13(12)17-18-19/h1-8H,9H2
InChIKeyHGFRJIFHAUXMQL-UHFFFAOYSA-N
XLogP2.33
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-[1-(4-chlorophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24600817
3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714437
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 7529241
3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one
CID 9010695
3-[[(4-chlorophenyl)-phenylmethyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 4850740
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17017854
3-(2-oxo-2-phenothiazin-10-ylethyl)-1,2,3-benzotriazin-4-one
CID 38934577
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 4040828
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 30896765

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one (CID 2714491) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one is O=C(Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is HGFRJIFHAUXMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-7-5-10(6-8-11)14(20)9-19-15(21)12-3-1-2-4-13(12)17-18-19/h1-8H,9H2.
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 299.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 2714491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).