2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide

C14H17ClN2O3 — CID 138634453

IUPAC2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
SMILESCc1cc2c(c(C)c1Cl)N(CC(=O)N(C)C)C(=O)CO2
InChIInChI=1S/C14H17ClN2O3/c1-8-5-10-14(9(2)13(8)15)17(12(19)7-20-10)6-11(18)16(3)4/h5H,6-7H2,1-4H3
InChIKeyHDDKFLJACVMYDL-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.77
Rot. Bonds2

About 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide

2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide (PubChem CID 138634453) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
PubChem CID138634453
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
SMILESCc1cc2c(c(C)c1Cl)N(CC(=O)N(C)C)C(=O)CO2
InChIInChI=1S/C14H17ClN2O3/c1-8-5-10-14(9(2)13(8)15)17(12(19)7-20-10)6-11(18)16(3)4/h5H,6-7H2,1-4H3
InChIKeyHDDKFLJACVMYDL-UHFFFAOYSA-N
XLogP1.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide (CID 138634453) is 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide is Cc1cc2c(c(C)c1Cl)N(CC(=O)N(C)C)C(=O)CO2.
What is the InChIKey of 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
The InChIKey is HDDKFLJACVMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-5-10-14(9(2)13(8)15)17(12(19)7-20-10)6-11(18)16(3)4/h5H,6-7H2,1-4H3.
What are the key properties of 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide has a molecular weight of 296.75 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 138634453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).