2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide

C11H14ClFN2O2 — CID 79479333

IUPAC2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
SMILESNCCOCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O2/c12-9-5-8(1-2-10(9)13)6-15-11(16)7-17-4-3-14/h1-2,5H,3-4,6-7,14H2,(H,15,16)
InChIKeyPMDKRLADCRFQEB-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.07
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide

2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide (PubChem CID 79479333) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
PubChem CID79479333
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
SMILESNCCOCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O2/c12-9-5-8(1-2-10(9)13)6-15-11(16)7-17-4-3-14/h1-2,5H,3-4,6-7,14H2,(H,15,16)
InChIKeyPMDKRLADCRFQEB-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide (CID 79479333) is 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide is NCCOCC(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The InChIKey is PMDKRLADCRFQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c12-9-5-8(1-2-10(9)13)6-15-11(16)7-17-4-3-14/h1-2,5H,3-4,6-7,14H2,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide has a molecular weight of 260.70 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 79479333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).