N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide

C16H16ClNO2 — CID 844825

IUPACN-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-6-4-5-13(11-14)9-10-18-16(19)12-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyVLMVXEUHOOKHSN-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide

N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide (PubChem CID 844825) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide
PubChem CID844825
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-6-4-5-13(11-14)9-10-18-16(19)12-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyVLMVXEUHOOKHSN-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide (CID 844825) is N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is VLMVXEUHOOKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-6-4-5-13(11-14)9-10-18-16(19)12-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide?
N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 289.76 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 844825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).