2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

C12H16ClNO2 — CID 2496513

IUPAC2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-16-11-6-4-10(5-7-11)9-14(2)12(15)8-13/h4-7H,3,8-9H2,1-2H3
InChIKeyWENQZSFKNAKBRC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.28
Rot. Bonds5

About 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 2496513) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID2496513
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-16-11-6-4-10(5-7-11)9-14(2)12(15)8-13/h4-7H,3,8-9H2,1-2H3
InChIKeyWENQZSFKNAKBRC-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.28
H-Bond Donors ≤ 50
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 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (CID 2496513) is 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(CN(C)C(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is WENQZSFKNAKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-16-11-6-4-10(5-7-11)9-14(2)12(15)8-13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 241.72 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 2496513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).