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

C16H11ClF2N2O3 — CID 31070956

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11ClF2N2O3/c17-9-1-4-14-13(5-9)21(16(23)8-24-14)7-15(22)20-12-3-2-10(18)6-11(12)19/h1-6H,7-8H2,(H,20,22)
InChIKeyWYMYWSKYUYONSE-UHFFFAOYSA-N
MW352.72 g/mol
LogP2.98
Rot. Bonds3

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

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 31070956) has the molecular formula C16H11ClF2N2O3 and a molecular weight of 352.72 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID31070956
Molecular FormulaC16H11ClF2N2O3
Molecular Weight352.72 g/mol
Exact Mass352.04
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11ClF2N2O3/c17-9-1-4-14-13(5-9)21(16(23)8-24-14)7-15(22)20-12-3-2-10(18)6-11(12)19/h1-6H,7-8H2,(H,20,22)
InChIKeyWYMYWSKYUYONSE-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 30291298
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,4-difluorophenyl)acetamide
CID 20903372
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-(difluoromethoxy)phenyl]acetamide
CID 2993235
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 25336533
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 6473257
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-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2996281
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-(2,4,6-trimethylphenyl)acetamide
CID 1263385
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 23409557

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide (CID 31070956) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is WYMYWSKYUYONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O3/c17-9-1-4-14-13(5-9)21(16(23)8-24-14)7-15(22)20-12-3-2-10(18)6-11(12)19/h1-6H,7-8H2,(H,20,22).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 352.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 31070956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).