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

C17H15ClN2O3 — CID 954220

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O3/c1-11-4-2-3-5-13(11)19-16(21)9-20-14-8-12(18)6-7-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyUEWJMZACWIXIME-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.01
Rot. Bonds3

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

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide (PubChem CID 954220) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
PubChem CID954220
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O3/c1-11-4-2-3-5-13(11)19-16(21)9-20-14-8-12(18)6-7-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyUEWJMZACWIXIME-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide (CID 954220) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is UEWJMZACWIXIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11-4-2-3-5-13(11)19-16(21)9-20-14-8-12(18)6-7-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 330.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 954220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).