N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide

C13H18ClNO3 — CID 113271840

IUPACN-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCOCCCl
InChIInChI=1S/C13H18ClNO3/c1-17-12-5-3-2-4-11(12)10-13(16)15-7-9-18-8-6-14/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyMEVBCQVGPUBEQM-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.61
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide

N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 113271840) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide
PubChem CID113271840
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCOCCCl
InChIInChI=1S/C13H18ClNO3/c1-17-12-5-3-2-4-11(12)10-13(16)15-7-9-18-8-6-14/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyMEVBCQVGPUBEQM-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 114297434
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate
CID 108916244
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
CID 63284741
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide (CID 113271840) is N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is MEVBCQVGPUBEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-17-12-5-3-2-4-11(12)10-13(16)15-7-9-18-8-6-14/h2-5H,6-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide?
N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 113271840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).