2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide

C18H14BrN5O3 — CID 112835343

IUPAC2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C18H14BrN5O3/c19-12-5-6-15-16(9-12)27-11-18(26)23(15)10-17(25)21-13-3-1-2-4-14(13)24-8-7-20-22-24/h1-9H,10-11H2,(H,21,25)
InChIKeyJIWUCPNDXPJVIW-UHFFFAOYSA-N
MW428.25 g/mol
LogP2.39
Rot. Bonds4

About 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide (PubChem CID 112835343) has the molecular formula C18H14BrN5O3 and a molecular weight of 428.25 g/mol. Its IUPAC name is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
PubChem CID112835343
Molecular FormulaC18H14BrN5O3
Molecular Weight428.25 g/mol
Exact Mass427.03
IUPAC Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C18H14BrN5O3/c19-12-5-6-15-16(9-12)27-11-18(26)23(15)10-17(25)21-13-3-1-2-4-14(13)24-8-7-20-22-24/h1-9H,10-11H2,(H,21,25)
InChIKeyJIWUCPNDXPJVIW-UHFFFAOYSA-N
XLogP2.39
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzylphenyl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 38956965
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 38957191
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 38983455
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 39718624
N'-[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]pyridine-3-carbohydrazide
CID 39039312
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 38952079
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
N-benzyl-2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetamide
CID 38983847
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516
2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 39464003
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethylphenyl)acetamide
CID 51046889

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide (CID 112835343) is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide is O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
The InChIKey is JIWUCPNDXPJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O3/c19-12-5-6-15-16(9-12)27-11-18(26)23(15)10-17(25)21-13-3-1-2-4-14(13)24-8-7-20-22-24/h1-9H,10-11H2,(H,21,25).
What are the key properties of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide?
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide has a molecular weight of 428.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 112835343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).