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

C13H17ClN2O2 — CID 2110937

IUPAC4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-3-16(4-2)13(18)10-5-7-11(8-6-10)15-12(17)9-14/h5-8H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyZNPSXTYXYLPVJR-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.35
Rot. Bonds5

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

4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide (PubChem CID 2110937) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide
PubChem CID2110937
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-3-16(4-2)13(18)10-5-7-11(8-6-10)15-12(17)9-14/h5-8H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyZNPSXTYXYLPVJR-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.35
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-diethylbenzamide?
The IUPAC name of 4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide (CID 2110937) is 4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide?
The InChIKey is ZNPSXTYXYLPVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-16(4-2)13(18)10-5-7-11(8-6-10)15-12(17)9-14/h5-8H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide?
4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide has a molecular weight of 268.74 g/mol, XLogP of 2.35, 5 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-diethylbenzamide is sourced from PubChem (CID 2110937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).