2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

C12H16ClFN2O2 — CID 112683507

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-18-6-5-16-12(17)8-15-7-9-10(13)3-2-4-11(9)14/h2-4,15H,5-8H2,1H3,(H,16,17)
InChIKeyKJHGEOFAMJBEBB-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.33
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 112683507) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID112683507
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-18-6-5-16-12(17)8-15-7-9-10(13)3-2-4-11(9)14/h2-4,15H,5-8H2,1H3,(H,16,17)
InChIKeyKJHGEOFAMJBEBB-UHFFFAOYSA-N
XLogP1.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.33
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-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119722593
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
CID 82533014
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-propylacetamide
CID 78959666
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate
CID 83211387
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]-4-oxobutanoate
CID 94698209
2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113229720
2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
CID 103292213
N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 74234343
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 112683507) is 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is KJHGEOFAMJBEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-18-6-5-16-12(17)8-15-7-9-10(13)3-2-4-11(9)14/h2-4,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 274.72 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 112683507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).