2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

C10H8Cl2N2O3 — CID 143616065

IUPAC2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESNC(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H8Cl2N2O3/c11-5-1-7-8(2-6(5)12)17-4-10(16)14(7)3-9(13)15/h1-2H,3-4H2,(H2,13,15)
InChIKeyBEQLGISVISESRG-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.20
Rot. Bonds2

About 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 143616065) has the molecular formula C10H8Cl2N2O3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID143616065
Molecular FormulaC10H8Cl2N2O3
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC Name2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESNC(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H8Cl2N2O3/c11-5-1-7-8(2-6(5)12)17-4-10(16)14(7)3-9(13)15/h1-2H,3-4H2,(H2,13,15)
InChIKeyBEQLGISVISESRG-UHFFFAOYSA-N
XLogP1.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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'-hydroxyethanimidamide
CID 74926473
2-[7-[(4-fluorophenyl)methylamino]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82212195
2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695856
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530
2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 21277886
N-[(3-bromophenyl)-morpholin-4-ylmethyl]-2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 71056650
2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide
CID 62987720
2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)-N-methyl-N-[1-(3-phenylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46940755
N-[1-[4-(3-aminophenyl)phenyl]-2-morpholin-4-ylethyl]-2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 57489027
2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 62987008
2-(7-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 70898644

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 143616065) is 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is NC(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is BEQLGISVISESRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3/c11-5-1-7-8(2-6(5)12)17-4-10(16)14(7)3-9(13)15/h1-2H,3-4H2,(H2,13,15).
What are the key properties of 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 275.09 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 143616065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).