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

C17H14Cl2N2O4 — CID 2205365

IUPACN-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C17H14Cl2N2O4/c1-24-14-4-2-10(18)6-12(14)20-16(22)8-21-13-7-11(19)3-5-15(13)25-9-17(21)23/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyHTCOTGAXLKYNJH-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.37
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 2205365) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID2205365
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C17H14Cl2N2O4/c1-24-14-4-2-10(18)6-12(14)20-16(22)8-21-13-7-11(19)3-5-15(13)25-9-17(21)23/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyHTCOTGAXLKYNJH-UHFFFAOYSA-N
XLogP3.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.37
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
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
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410059
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
CID 31070956
N-(5-chloro-2-propoxyphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55896284
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-(2,4,6-trimethylphenyl)acetamide
CID 1263385
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-(5-chloro-2-pyridinyl)acetamide
CID 6473257
N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51046957
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 N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 2205365) is N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is HTCOTGAXLKYNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-24-14-4-2-10(18)6-12(14)20-16(22)8-21-13-7-11(19)3-5-15(13)25-9-17(21)23/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 381.22 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 2205365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).