2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

C11H11ClN2O3 — CID 115161945

IUPAC2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCN(C(=O)CCl)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H11ClN2O3/c1-13(10(15)6-12)7-3-4-9-8(5-7)14(2)11(16)17-9/h3-5H,6H2,1-2H3
InChIKeyNIEIBOQZSIOOFP-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.33
Rot. Bonds2

About 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (PubChem CID 115161945) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
PubChem CID115161945
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCN(C(=O)CCl)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H11ClN2O3/c1-13(10(15)6-12)7-3-4-9-8(5-7)14(2)11(16)17-9/h3-5H,6H2,1-2H3
InChIKeyNIEIBOQZSIOOFP-UHFFFAOYSA-N
XLogP1.33
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (CID 115161945) is 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is CN(C(=O)CCl)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is NIEIBOQZSIOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-13(10(15)6-12)7-3-4-9-8(5-7)14(2)11(16)17-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 254.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 115161945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).