N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide

C12H16ClNO3 — CID 110678230

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
SMILESO=C(COCCO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c13-11-3-1-10(2-4-11)5-6-14-12(16)9-17-8-7-15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyDGIZWWPFSBSIPN-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.01
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide (PubChem CID 110678230) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
PubChem CID110678230
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
SMILESO=C(COCCO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c13-11-3-1-10(2-4-11)5-6-14-12(16)9-17-8-7-15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyDGIZWWPFSBSIPN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814908
1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
CID 108891921
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide
CID 3244484
N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
CID 112788187
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide (CID 110678230) is N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide is O=C(COCCO)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide?
The InChIKey is DGIZWWPFSBSIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c13-11-3-1-10(2-4-11)5-6-14-12(16)9-17-8-7-15/h1-4,15H,5-9H2,(H,14,16).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide is sourced from PubChem (CID 110678230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).