2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide

C17H13ClF2N2O4 — CID 2993235

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H13ClF2N2O4/c18-10-5-6-14-12(7-10)22(16(24)9-25-14)8-15(23)21-11-3-1-2-4-13(11)26-17(19)20/h1-7,17H,8-9H2,(H,21,23)
InChIKeyGNDHUNCJMNDBJK-UHFFFAOYSA-N
MW382.75 g/mol
LogP3.31
Rot. Bonds5

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 2993235) has the molecular formula C17H13ClF2N2O4 and a molecular weight of 382.75 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID2993235
Molecular FormulaC17H13ClF2N2O4
Molecular Weight382.75 g/mol
Exact Mass382.05
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H13ClF2N2O4/c18-10-5-6-14-12(7-10)22(16(24)9-25-14)8-15(23)21-11-3-1-2-4-13(11)26-17(19)20/h1-7,17H,8-9H2,(H,21,23)
InChIKeyGNDHUNCJMNDBJK-UHFFFAOYSA-N
XLogP3.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
N-(3-chloro-2-fluorophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 30291298
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)-N-(2-piperidin-1-ylphenyl)acetamide
CID 25336533
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 954212
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-(5-chloro-2-pyridinyl)acetamide
CID 6473257
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
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-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide (CID 2993235) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is GNDHUNCJMNDBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O4/c18-10-5-6-14-12(7-10)22(16(24)9-25-14)8-15(23)21-11-3-1-2-4-13(11)26-17(19)20/h1-7,17H,8-9H2,(H,21,23).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 382.75 g/mol, XLogP of 3.31, 5 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-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2993235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).