N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C15H11BrN4O2 — CID 2695518

IUPACN-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H11BrN4O2/c16-10-4-3-5-11(8-10)17-14(21)9-20-15(22)12-6-1-2-7-13(12)18-19-20/h1-8H,9H2,(H,17,21)
InChIKeyZQMYOAOWIQHTBK-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.19
Rot. Bonds3

About N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 2695518) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID2695518
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC NameN-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H11BrN4O2/c16-10-4-3-5-11(8-10)17-14(21)9-20-15(22)12-6-1-2-7-13(12)18-19-20/h1-8H,9H2,(H,17,21)
InChIKeyZQMYOAOWIQHTBK-UHFFFAOYSA-N
XLogP2.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52795640
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529267
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 2695518) is N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is ZQMYOAOWIQHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c16-10-4-3-5-11(8-10)17-14(21)9-20-15(22)12-6-1-2-7-13(12)18-19-20/h1-8H,9H2,(H,17,21).
What are the key properties of N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 359.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 2695518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).