2-chloro-N-methyl-N-(2-phenylethyl)acetamide

C11H14ClNO — CID 12557952

IUPAC2-chloro-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-13(11(14)9-12)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeySRAMTXJPLPJVNA-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.93
Rot. Bonds4

About 2-chloro-N-methyl-N-(2-phenylethyl)acetamide

2-chloro-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 12557952) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID12557952
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-13(11(14)9-12)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeySRAMTXJPLPJVNA-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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 2-chloro-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-phenylethyl)acetamide (CID 12557952) is 2-chloro-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is SRAMTXJPLPJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-13(11(14)9-12)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2-phenylethyl)acetamide?
2-chloro-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 211.69 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 12557952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).