2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide

C11H14ClFN2O2 — CID 106235638

IUPAC2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O2/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)
InChIKeyRLCOYZHJDOACGZ-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.07
Rot. Bonds7

About 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide

2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide (PubChem CID 106235638) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide
PubChem CID106235638
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O2/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)
InChIKeyRLCOYZHJDOACGZ-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]-2-methoxy-N-methylacetamide
CID 51072609
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide
CID 56795266
N-[(2-chloro-6-fluorophenyl)(cyano)methyl]-2-(2-methoxyethoxy)acetamide
CID 75371264
N-[cyano(3,5-dichlorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 75371266
N-(2-chlorobenzyl)-2-methoxyacetamide
CID 885765
2-[2-[(2-Chloro-6-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 2826196
N-(2-Chlorobenzyl)-2-ethoxyacetamide
CID 2204805
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] acetate
CID 2495125
N-{[1-(2-chloro-5-fluorobenzyl)-1,2,3,6-tetrahydropyridin-4-yl]methyl}-2-methoxyacetamide
CID 50956831
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yloxypropanamide
CID 97937261
N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 52852300
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide
CID 57068637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide (CID 106235638) is 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide?
The InChIKey is RLCOYZHJDOACGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/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-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide?
2-[2-[(3-chloro-5-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-[(3-chloro-5-fluorophenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).