2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide

C11H15ClN2O2 — CID 134434243

IUPAC2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide
SMILESCCNOc1ccc(C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-4-13-16-8-5-6-9(10(12)7-8)11(15)14(2)3/h5-7,13H,4H2,1-3H3
InChIKeyCRVCTGWCKDTVGH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.95
Rot. Bonds4

About 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide

2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide (PubChem CID 134434243) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide
PubChem CID134434243
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide
SMILESCCNOc1ccc(C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-4-13-16-8-5-6-9(10(12)7-8)11(15)14(2)3/h5-7,13H,4H2,1-3H3
InChIKeyCRVCTGWCKDTVGH-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide (CID 134434243) is 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide is CCNOc1ccc(C(=O)N(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide?
The InChIKey is CRVCTGWCKDTVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-4-13-16-8-5-6-9(10(12)7-8)11(15)14(2)3/h5-7,13H,4H2,1-3H3.
What are the key properties of 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide?
2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide has a molecular weight of 242.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 134434243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).