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

C16H12BrClN2O3 — CID 3494008

IUPACN-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1Br
InChIInChI=1S/C16H12BrClN2O3/c17-11-3-1-2-4-12(11)19-15(21)8-20-13-7-10(18)5-6-14(13)23-9-16(20)22/h1-7H,8-9H2,(H,19,21)
InChIKeyRSGFIZUJZGDLDA-UHFFFAOYSA-N
MW395.64 g/mol
LogP3.47
Rot. Bonds3

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

N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3494008) has the molecular formula C16H12BrClN2O3 and a molecular weight of 395.64 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3494008
Molecular FormulaC16H12BrClN2O3
Molecular Weight395.64 g/mol
Exact Mass393.97
IUPAC NameN-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1Br
InChIInChI=1S/C16H12BrClN2O3/c17-11-3-1-2-4-12(11)19-15(21)8-20-13-7-10(18)5-6-14(13)23-9-16(20)22/h1-7H,8-9H2,(H,19,21)
InChIKeyRSGFIZUJZGDLDA-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18774340
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 25336533
N-(3-chloro-2-fluorophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 30291298
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2993235
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-(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-(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-(3,4-dimethylphenyl)acetamide
CID 23409557
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3494008) is N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is RSGFIZUJZGDLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O3/c17-11-3-1-2-4-12(11)19-15(21)8-20-13-7-10(18)5-6-14(13)23-9-16(20)22/h1-7H,8-9H2,(H,19,21).
What are the key properties of N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 395.64 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3494008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).