2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide

C11H14ClFN2O2 — CID 106235643

IUPAC2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2O2/c12-9-1-2-10(13)8(5-9)6-15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,6-7H2,(H2,14,16)
InChIKeyHZGULSNWBPFJMP-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.07
Rot. Bonds7

About 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide

2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide (PubChem CID 106235643) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide
PubChem CID106235643
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2O2/c12-9-1-2-10(13)8(5-9)6-15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,6-7H2,(H2,14,16)
InChIKeyHZGULSNWBPFJMP-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
F2189-0437
CID 244923
Ethyl [(4-chlorobenzyl)amino](oxo)acetate
CID 244924
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 45798749
N-[1-(3-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 45824114
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide
CID 56795266
N-(3-chlorobenzyl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56874597
N-[(2-chloro-6-fluorophenyl)(cyano)methyl]-2-(2-methoxyethoxy)acetamide
CID 75371264
N-(2-chlorobenzyl)-2-methoxyacetamide
CID 885765
2-[2-[(2-Chloro-6-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 2826196

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide (CID 106235643) is 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1cc(Cl)ccc1F.
What is the InChIKey of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide?
The InChIKey is HZGULSNWBPFJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c12-9-1-2-10(13)8(5-9)6-15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,6-7H2,(H2,14,16).
What are the key properties of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide?
2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide has a molecular weight of 260.70 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-fluorophenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).