N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide

C12H15ClFNO2 — CID 60636093

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-3-17-8-12(16)15(2)7-9-10(13)5-4-6-11(9)14/h4-6H,3,7-8H2,1-2H3
InChIKeyJHMUMFQPFYBDTJ-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.47
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide (PubChem CID 60636093) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide
PubChem CID60636093
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-3-17-8-12(16)15(2)7-9-10(13)5-4-6-11(9)14/h4-6H,3,7-8H2,1-2H3
InChIKeyJHMUMFQPFYBDTJ-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567
4-(2-Chloro-6-fluorobenzyl)morpholine
CID 677371
Acetamide, 2,2-dichloro-N-(2,4-dichlorobenzyl)-N-(2-ethoxyethyl)-
CID 3056279
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 2526704
N-benzyl-2-ethoxy-N-ethylacetamide
CID 2162886
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
F2189-0437
CID 244923
Ethyl [(4-chlorobenzyl)amino](oxo)acetate
CID 244924
N-benzyl-2-methoxy-N-methylacetamide
CID 19178358
4-[(4-Chlorophenyl)methyl]-2,2,6,6-tetramethyl-3,5-morpholinedione
CID 12282989
N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 45793902
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 45798749

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide (CID 60636093) is N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide is CCOCC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide?
The InChIKey is JHMUMFQPFYBDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-3-17-8-12(16)15(2)7-9-10(13)5-4-6-11(9)14/h4-6H,3,7-8H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide has a molecular weight of 259.71 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide is sourced from PubChem (CID 60636093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).