2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide

C11H14Cl2N2O2 — CID 114162125

IUPAC2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c12-9-3-8(4-10(13)5-9)6-15-1-2-17-7-11(14)16/h3-5,15H,1-2,6-7H2,(H2,14,16)
InChIKeyUPOWBEIPNVLRNE-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide

2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide (PubChem CID 114162125) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
PubChem CID114162125
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c12-9-3-8(4-10(13)5-9)6-15-1-2-17-7-11(14)16/h3-5,15H,1-2,6-7H2,(H2,14,16)
InChIKeyUPOWBEIPNVLRNE-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.58
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

2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[(3,5-dichlorophenyl)methylamino]oxyacetamide
CID 112672702
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106235635
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
CID 106235049
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
CID 106234983
2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide
CID 66749518

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide (CID 114162125) is 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide?
The InChIKey is UPOWBEIPNVLRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c12-9-3-8(4-10(13)5-9)6-15-1-2-17-7-11(14)16/h3-5,15H,1-2,6-7H2,(H2,14,16).
What are the key properties of 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide?
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide has a molecular weight of 277.15 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 114162125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).