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

C18H17ClN2O4 — CID 1091403

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2O4/c1-2-24-15-6-4-3-5-13(15)20-17(22)10-21-14-9-12(19)7-8-16(14)25-11-18(21)23/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyLRAPZKNHCKELCT-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.10
Rot. Bonds5

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

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 1091403) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID1091403
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2O4/c1-2-24-15-6-4-3-5-13(15)20-17(22)10-21-14-9-12(19)7-8-16(14)25-11-18(21)23/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyLRAPZKNHCKELCT-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide (CID 1091403) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is LRAPZKNHCKELCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-2-24-15-6-4-3-5-13(15)20-17(22)10-21-14-9-12(19)7-8-16(14)25-11-18(21)23/h3-9H,2,10-11H2,1H3,(H,20,22).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 360.80 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 1091403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).