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

C21H23ClN2O3 — CID 23409166

IUPAC2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1C(=O)C(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C21H23ClN2O3/c1-4-14-7-6-8-15(5-2)20(14)23-19(25)12-24-17-11-16(22)9-10-18(17)27-13(3)21(24)26/h6-11,13H,4-5,12H2,1-3H3,(H,23,25)
InChIKeyCZVZMIYJVOYMOW-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.22
Rot. Bonds5

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

2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide (PubChem CID 23409166) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide
PubChem CID23409166
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1C(=O)C(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C21H23ClN2O3/c1-4-14-7-6-8-15(5-2)20(14)23-19(25)12-24-17-11-16(22)9-10-18(17)27-13(3)21(24)26/h6-11,13H,4-5,12H2,1-3H3,(H,23,25)
InChIKeyCZVZMIYJVOYMOW-UHFFFAOYSA-N
XLogP4.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-fluorophenyl)acetamide
CID 23409151
N-(4-butylphenyl)-2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409217
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 84563052
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 31065986
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-chlorophenyl)acetamide
CID 84563095
N-(2,4-dichlorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410074
N-(2,6-diethylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17498460
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 84562509
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,5-dichlorophenyl)acetamide
CID 84563038
diethyl 5-[[2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 23410417
4-[2-(azepan-1-yl)-2-oxoethyl]-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 23410599
6-chloro-4-[(4-chlorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 23411018

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide (CID 23409166) is 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN1C(=O)C(C)Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is CZVZMIYJVOYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-4-14-7-6-8-15(5-2)20(14)23-19(25)12-24-17-11-16(22)9-10-18(17)27-13(3)21(24)26/h6-11,13H,4-5,12H2,1-3H3,(H,23,25).
What are the key properties of 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide?
2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 386.88 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 23409166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).