N-benzyl-2-chloro-N-ethylacetamide

C11H14ClNO — CID 2392406

IUPACN-benzyl-2-chloro-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-2-13(11(14)8-12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyOFUGAFLNLROZAL-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.27
Rot. Bonds4

About N-benzyl-2-chloro-N-ethylacetamide

N-benzyl-2-chloro-N-ethylacetamide (PubChem CID 2392406) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-ethylacetamide
PubChem CID2392406
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-benzyl-2-chloro-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-2-13(11(14)8-12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyOFUGAFLNLROZAL-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-benzyl-2-chloro-N-ethylacetamide?
The IUPAC name of N-benzyl-2-chloro-N-ethylacetamide (CID 2392406) is N-benzyl-2-chloro-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-chloro-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-2-chloro-N-ethylacetamide?
The InChIKey is OFUGAFLNLROZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-13(11(14)8-12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-ethylacetamide?
N-benzyl-2-chloro-N-ethylacetamide has a molecular weight of 211.69 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-ethylacetamide is sourced from PubChem (CID 2392406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).