4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide

C11H13ClN2O2 — CID 2104083

IUPAC4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-14(2)11(16)8-3-5-9(6-4-8)13-10(15)7-12/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyDDTWPYQAIJYIGK-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.57
Rot. Bonds3

About 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide

4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide (PubChem CID 2104083) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
PubChem CID2104083
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-14(2)11(16)8-3-5-9(6-4-8)13-10(15)7-12/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyDDTWPYQAIJYIGK-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide (CID 2104083) is 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
The InChIKey is DDTWPYQAIJYIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-14(2)11(16)8-3-5-9(6-4-8)13-10(15)7-12/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide has a molecular weight of 240.69 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 2104083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).