3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide

C17H14Cl2N2O4 — CID 110291854

IUPAC3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C17H14Cl2N2O4/c1-21-12-5-3-4-11(16(12)25-8-13(21)22)20-17(23)14-9(18)6-7-10(19)15(14)24-2/h3-7H,8H2,1-2H3,(H,20,23)
InChIKeyOOUJSLRMIOVYQD-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.61
Rot. Bonds3

About 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide

3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide (PubChem CID 110291854) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
PubChem CID110291854
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C17H14Cl2N2O4/c1-21-12-5-3-4-11(16(12)25-8-13(21)22)20-17(23)14-9(18)6-7-10(19)15(14)24-2/h3-7H,8H2,1-2H3,(H,20,23)
InChIKeyOOUJSLRMIOVYQD-UHFFFAOYSA-N
XLogP3.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide (CID 110291854) is 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide is COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc2c1OCC(=O)N2C.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The InChIKey is OOUJSLRMIOVYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-21-12-5-3-4-11(16(12)25-8-13(21)22)20-17(23)14-9(18)6-7-10(19)15(14)24-2/h3-7H,8H2,1-2H3,(H,20,23).
What are the key properties of 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide has a molecular weight of 381.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide is sourced from PubChem (CID 110291854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).