N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

C17H14Cl2N2O3 — CID 51046957

IUPACN-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2cc(Cl)ccc21
InChIInChI=1S/C17H14Cl2N2O3/c1-10-2-3-11(18)6-13(10)20-16(22)8-21-14-5-4-12(19)7-15(14)24-9-17(21)23/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyNZDSDBJIRCRKEN-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.67
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 51046957) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID51046957
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2cc(Cl)ccc21
InChIInChI=1S/C17H14Cl2N2O3/c1-10-2-3-11(18)6-13(10)20-16(22)8-21-14-5-4-12(19)7-15(14)24-9-17(21)23/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyNZDSDBJIRCRKEN-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 23409557
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-(2,4,6-trimethylphenyl)acetamide
CID 1263385
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26207996
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276054
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
CID 31070956
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-(2-ethyl-6-methylphenyl)acetamide
CID 31065986
N-(3-chloro-2-fluorophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 30291298
N-(2,5-dichlorophenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 17430908
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 51046957) is N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is NZDSDBJIRCRKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-10-2-3-11(18)6-13(10)20-16(22)8-21-14-5-4-12(19)7-15(14)24-9-17(21)23/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 365.22 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 51046957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).