6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C11H11ClN2O3 — CID 56730123

IUPAC6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1(C)Oc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C11H11ClN2O3/c1-11(9(15)13-2)10(16)14-7-5-6(12)3-4-8(7)17-11/h3-5H,1-2H3,(H,13,15)(H,14,16)
InChIKeyUWWRTKKZSHJEST-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.18
Rot. Bonds1

About 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 56730123) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID56730123
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1(C)Oc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C11H11ClN2O3/c1-11(9(15)13-2)10(16)14-7-5-6(12)3-4-8(7)17-11/h3-5H,1-2H3,(H,13,15)(H,14,16)
InChIKeyUWWRTKKZSHJEST-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 56730123) is 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is CNC(=O)C1(C)Oc2ccc(Cl)cc2NC1=O.
What is the InChIKey of 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is UWWRTKKZSHJEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-11(9(15)13-2)10(16)14-7-5-6(12)3-4-8(7)17-11/h3-5H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 254.67 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 56730123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).