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

C12H16ClNO3 — CID 114297434

IUPACN-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCCOCCCl
InChIInChI=1S/C12H16ClNO3/c13-5-7-17-8-6-14-12(16)9-10-3-1-2-4-11(10)15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyHSKZMSPVARICKI-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.31
Rot. Bonds7

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

N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 114297434) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID114297434
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCCOCCCl
InChIInChI=1S/C12H16ClNO3/c13-5-7-17-8-6-14-12(16)9-10-3-1-2-4-11(10)15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyHSKZMSPVARICKI-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.31
H-Bond Donors ≤ 52
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-methoxyphenyl)acetamide
CID 113271840
N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 103099351
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
CID 114297493
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917205
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide (CID 114297434) is N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide is O=C(Cc1ccccc1O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is HSKZMSPVARICKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c13-5-7-17-8-6-14-12(16)9-10-3-1-2-4-11(10)15/h1-4,15H,5-9H2,(H,14,16).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 114297434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).