2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide

C15H11Cl2N3O3 — CID 6473257

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11Cl2N3O3/c16-9-1-3-12-11(5-9)20(15(22)8-23-12)7-14(21)19-13-4-2-10(17)6-18-13/h1-6H,7-8H2,(H,18,19,21)
InChIKeyUIXHRUZRIMGBIX-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.75
Rot. Bonds3

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 6473257) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID6473257
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11Cl2N3O3/c16-9-1-3-12-11(5-9)20(15(22)8-23-12)7-14(21)19-13-4-2-10(17)6-18-13/h1-6H,7-8H2,(H,18,19,21)
InChIKeyUIXHRUZRIMGBIX-UHFFFAOYSA-N
XLogP2.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32607513
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 23409557
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2205365
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
CID 31070956
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30663959
N-(3-chloro-2-fluorophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 30291298

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide (CID 6473257) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is UIXHRUZRIMGBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c16-9-1-3-12-11(5-9)20(15(22)8-23-12)7-14(21)19-13-4-2-10(17)6-18-13/h1-6H,7-8H2,(H,18,19,21).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 352.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 6473257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).