N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide

C12H15Cl2NO2 — CID 114297493

IUPACN-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCOCCCl
InChIInChI=1S/C12H15Cl2NO2/c13-4-6-17-7-5-15-12(16)9-10-2-1-3-11(14)8-10/h1-3,8H,4-7,9H2,(H,15,16)
InChIKeyLDJBHJHCRADHQH-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide

N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide (PubChem CID 114297493) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
PubChem CID114297493
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCOCCCl
InChIInChI=1S/C12H15Cl2NO2/c13-4-6-17-7-5-15-12(16)9-10-2-1-3-11(14)8-10/h1-3,8H,4-7,9H2,(H,15,16)
InChIKeyLDJBHJHCRADHQH-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 114297434
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932591
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108901434
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
CID 14496167
2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721086
N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 113271840

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide (CID 114297493) is N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is LDJBHJHCRADHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-4-6-17-7-5-15-12(16)9-10-2-1-3-11(14)8-10/h1-3,8H,4-7,9H2,(H,15,16).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide?
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 276.16 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 114297493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).